format-version: 1.2 data-version: releases/2019-05-15 ontology: mco property_value: http://purl.obolibrary.org/obo/createdBy "Citlalli Mejía Almonte\nVíctor Tierrafría\nManuel Camacho\nSocorro Castro Gama\nJulio Collado Vides" xsd:string property_value: MCO:0000382 "" xsd:string property_value: MCO:0000382 "Microbial Conditions Ontology contains terms to describe growth conditions in microbiological experiments. The first version is based on gene regulation experiments in Escherichia coli K-12. It is being used in RegulonDB to link growth conditions to gene regulation data." xsd:string owl-axioms: Prefix(owl:=)\nPrefix(rdf:=)\nPrefix(xml:=)\nPrefix(xsd:=)\nPrefix(rdfs:=)\n\n\nOntology(\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(Class())\nDeclaration(AnnotationProperty())\nDeclaration(AnnotationProperty())\nDeclaration(AnnotationProperty())\n############################\n# Annotation Properties\n############################\n\n# Annotation Property: (BFO OWL specification label)\n\nSubAnnotationPropertyOf( rdfs:label)\n\n# Annotation Property: (BFO CLIF specification label)\n\nSubAnnotationPropertyOf( rdfs:label)\n\n\n\n############################\n# Classes\n############################\n\n# Class: (entity)\n\nSubClassOf( owl:Thing)\n\n# Class: (mco)\n\nSubClassOf( owl:Thing)\n\n# Class: (lysogenic mutant)\n\n\n# Class: (transposable element mutant)\n\n\n# Class: (knockin mutant)\n\n\n# Class: (λ(soxR))\n\n\n# Class: (λ(truncated soxR))\n\n\n# Class: (Φ(soxR))\n\n\n# Class: (OD600 of 0.3)\n\n\n# Class: (OD600 from 0.4 to 0.5)\n\n\n# Class: (OD600 of 0.25)\n\n\n# Class: (OD600 of 1.5)\n\n\n# Class: (OD600 of 0.5)\n\n\n# Class: (OD600 below 0.7)\n\n\n# Class: (OD600 of 0.4)\n\n\n# Class: (OD600 from 0.4 to 0.6)\n\n\n# Class: (OD600 of 0.65)\n\n\n# Class: (greA overexpression mutant)\n\n\n# Class: (mlc knockout mutant)\n\n\n# Class: (nanR knockout mutant)\n\n\n# Class: (allS knockout mutant)\n\n\n# Class: (arcA knockout mutant)\n\n\n# Class: (cra knockout mutant)\n\n\n# Class: (crp knockout mutant)\n\n\n# Class: (cyaA knockout mutant)\n\n\n# Class: (fhlA knockout mutant)\n\n\n# Class: (fnr knockout mutant)\n\n\n# Class: (himA knockout mutant)\n\n\n# Class: (hydG knockout mutant)\n\n\n# Class: (iclR knockout mutant)\n\n\n# Class: (ihfB knockout mutant)\n\n\n# Class: (lrp knockout mutant)\n\n\n# Class: (bioA knockout mutant)\n\n\n# Class: (metC knockout mutant)\n\n\n# Class: (metE knockout mutant)\n\n\n# Class: (metR knockout mutant)\n\n\n# Class: (narL knockout mutant)\n\n\n# Class: (bioD knockout mutant)\n\n\n# Class: (oxyR knockout mutant)\n\n\n# Class: (pdhR knockout mutant)\n\n\n# Class: (relA knockout mutant)\n\n\n# Class: (rpoS knockout mutant)\n\n\n# Class: (rsd knockout mutant)\n\n\n# Class: (sdiA knockout mutant)\n\n\n# Class: (soxR knockout mutant)\n\n\n# Class: (soxS knockout mutant)\n\n\n# Class: (spoT knockout mutant)\n\n\n# Class: (yiaJ knockout mutant)\n\n\n# Class: (zntR knockout mutant)\n\n\n# Class: (znuA knockout mutant)\n\n\n# Class: (znuB knockout mutant)\n\n\n# Class: (marA knockout mutant)\n\n\n# Class: (pyrimidine limitation)\n\n\n# Class: (iron limitation)\n\n\n# Class: (carbon limitation)\n\n\n# Class: (nitrogen limitation)\n\n\n# Class: (phosphate limitation)\n\n\n# Class: (potassium limitation)\n\n\n# Class: (nlpE overexpression mutant)\n\n\n# Class: (ompC overexpression mutant)\n\n\n# Class: (ompF overexpression mutant)\n\n\n# Class: (ompX overexpression mutant)\n\n\n# Class: (rpoE overexpression mutant)\n\n\n# Class: (28.0 C)\n\n\n# Class: (30.0 C)\n\n\n# Class: (32.0 C)\n\n\n# Class: (37.0 C)\n\n\n# Class: (hydrogen peroxide 100 µM)\n\n\n# Class: (hydrogen peroxide 120 µM)\n\n\n# Class: (sodium chloride 0.35 M)\n\n\n# Class: (acetate 0.009%)\n\n\n# Class: (acetate 0.4%)\n\n\n# Class: (acetate 4 g/L)\n\n\n# Class: (acetate 50 mM)\n\n\n# Class: (glycerol 0.4%)\n\n\n# Class: (glycerol 1%)\n\n\n# Class: (nalidixic acid 160 µM)\n\n\n# Class: (nitrate 50 mM)\n\n\n# Class: (OD650 of 0.2)\n\n\n# Class: (OD650 of 0.4)\n\n\n# Class: (OD650 of 0.5)\n\n\n# Class: (OD650 of 0.8)\n\n\n# Class: (OD650 from 0.5 to 0.7)\n\n\n# Class: (allR knockout mutant)\n\n\n# Class: (arsR knockout mutant)\n\n\n# Class: (pH 5.0)\n\n\n# Class: (pH 5.8)\n\n\n# Class: (pH 6.0)\n\n\n# Class: (pH 6.5)\n\n\n# Class: (pH 7.6)\n\n\n# Class: (lag phase)\n\n\n# Class: (acceleration phase)\n\n\n# Class: (exponential phase)\n\n\n# Class: (retardation phase)\n\n\n# Class: (stationary phase)\n\n\n# Class: (phase of decline)\n\n\n# Class: (early exponential phase)\n\n\n# Class: (early stationary phase)\n\n\n# Class: (early to mid exponential phase)\n\n\n# Class: (late exponential phase)\n\n\n# Class: (mid exponential phase)\n\n\n# Class: (mid to late exponential phase)\n\n\n# Class: (hydH knockout mutant)\n\n\n# Class: (leuO overexpression mutant)\n\n\n# Class: (marR knockout mutant)\n\n\n# Class: (marB knockout mutant)\n\n\n# Class: (nrdA knockout mutant)\n\n\n# Class: (nrdB knockout mutant)\n\n\n# Class: (growth rate of 0.08 h-1)\n\n\n# Class: (growth rate of 0.11 h-1)\n\n\n# Class: (growth rate of 0.1 h-1)\n\n\n# Class: (growth rate of 0.2 h-1)\n\n\n# Class: (growth rate of 0.21 h-1)\n\n\n# Class: (growth rate of 0.26 h-1)\n\n\n# Class: (growth rate of 0.29 h-1)\n\n\n# Class: (growth rate of 0.3 h-1)\n\n\n# Class: (growth rate of 0.31 h-1)\n\n\n# Class: (growth rate of 0.36 h-1)\n\n\n# Class: (growth rate of 0.39 h-1)\n\n\n# Class: (growth rate of 0.4 h-1)\n\n\n# Class: (growth rate of 0.46 h-1)\n\n\n# Class: (growth rate of 0.48 h-1)\n\n\n# Class: (growth rate of 0.6 h-1)\n\n\n# Class: (growth rate of 0.7 h-1)\n\n\n# Class: (butan-1-ol 0.8% vol/vol)\n\n\n# Class: (butan-1-ol 0.9% vol/vol)\n\n\n# Class: (butan-1-ol 1% vol/vol)\n\n\n# Class: (bicozamycin 100 mcg/ml)\n\n\n# Class: (bicozamycin 10 mcg/ml)\n\n\n# Class: (bicozamycin 25 mcg/ml)\n\n\n# Class: (hydrogen peroxide 0.01 mM)\n\n\n# Class: (nrdB overexpression mutant)\n\n\n# Class: (umuD overexpression mutant)\n\n\n# Class: (recA overexpression mutant)\n\n\n# Class: (cpxR overexpression mutant)\n\n\n# Class: (nupC overexpression mutant)\n\n\n# Class: (galF overexpression mutant)\n\n\n# Class: (accA overexpression mutant)\n\n\n# Class: (mcrB overexpression mutant)\n\n\n# Class: (menC overexpression mutant)\n\n\n# Class: (cspF overexpression mutant)\n\n\n# Class: (dpiA overexpression mutant)\n\n\n# Class: (accC overexpression mutant)\n\n\n# Class: (ruvA overexpression mutant)\n\n\n# Class: (minD overexpression mutant)\n\n\n# Class: (uspA overexpression mutant)\n\n\n# Class: (folA overexpression mutant)\n\n\n# Class: (hlpA overexpression mutant)\n\n\n# Class: (xylR overexpression mutant)\n\n\n# Class: (pyrC overexpression mutant)\n\n\n# Class: (ghoS overexpression mutant)\n\n\n# Class: (ihfB overexpression mutant)\n\n\n# Class: (yebF overexpression mutant)\n\n\n# Class: (fadR overexpression mutant)\n\n\n# Class: (dinP overexpression mutant)\n\n\n# Class: (nrdA overexpression mutant)\n\n\n# Class: (holD overexpression mutant)\n\n\n# Class: (fklB overexpression mutant)\n\n\n# Class: (rpoS overexpression mutant)\n\n\n# Class: (mqsR overexpression mutant)\n\n\n# Class: (gyrI overexpression mutant)\n\n\n# Class: (greB overexpression mutant)\n\n\n# Class: (mprA overexpression mutant)\n\n\n# Class: (dinI overexpression mutant)\n\n\n# Class: (relE overexpression mutant)\n\n\n# Class: (mqsA overexpression mutant)\n\n\n# Class: (rpoH overexpression mutant)\n\n\n# Class: (yoeB overexpression mutant)\n\n\n# Class: (rimI overexpression mutant)\n\n\n# Class: (gyrA overexpression mutant)\n\n\n# Class: (minE overexpression mutant)\n\n\n# Class: (rstB overexpression mutant)\n\n\n# Class: (mazF overexpression mutant)\n\n\n# Class: (dnaN overexpression mutant)\n\n\n# Class: (uvrA overexpression mutant)\n\n\n# Class: (dnaT overexpression mutant)\n\n\n# Class: (ldrA overexpression mutant)\n\n\n# Class: (ruvC overexpression mutant)\n\n\n# Class: (sulA overexpression mutant)\n\n\n# Class: (sdiA overexpression mutant)\n\n\n# Class: (gcvR overexpression mutant)\n\n\n# Class: (dnaA overexpression mutant)\n\n\n# Class: (hcaR overexpression mutant)\n\n\n# Class: (murI overexpression mutant)\n\n\n# Class: (bglJ overexpression mutant)\n\n\n# Class: (accD overexpression mutant)\n\n\n# Class: (yfjF overexpression mutant)\n\n\n# Class: (rraA overexpression mutant)\n\n\n# Class: (menB overexpression mutant)\n\n\n# Class: (hscA overexpression mutant)\n\n\n# Class: (accB overexpression mutant)\n\n\n# Class: (zipA overexpression mutant)\n\n\n# Class: (crcB overexpression mutant)\n\n\n# Class: (sbcB overexpression mutant)\n\n\n# Class: (mcrC overexpression mutant)\n\n\n# Class: (lexA overexpression mutant)\n\n\n# Class: (hydrogen peroxide 0.3mM)\n\n\n# Class: (aceE knockout mutant)\n\n\n# Class: (adiA knockout mutant)\n\n\n# Class: (appY knockout mutant)\n\n\n# Class: (argR knockout mutant)\n\n\n# Class: (cadA knockout mutant)\n\n\n# Class: (cadB knockout mutant)\n\n\n# Class: (cnu knockout mutant)\n\n\n# Class: (cpxA knockout mutant)\n\n\n# Class: (creB knockout mutant)\n\n\n# Class: (crl knockout mutant)\n\n\n# Class: (cueO knockout mutant)\n\n\n# Class: (cysB knockout mutant)\n\n\n# Class: (cysQ knockout mutant)\n\n\n# Class: (dam knockout mutant)\n\n\n# Class: (dksA knockout mutant)\n\n\n# Class: (dnaJ knockout mutant)\n\n\n# Class: (dppA knockout mutant)\n\n\n# Class: (dppB knockout mutant)\n\n\n# Class: (dppC knockout mutant)\n\n\n# Class: (dppD knockout mutant)\n\n\n# Class: (dppF knockout mutant)\n\n\n# Class: (eno knockout mutant)\n\n\n# Class: (fis knockout mutant)\n\n\n# Class: (flhC knockout mutant)\n\n\n# Class: (flhD knockout mutant)\n\n\n# Class: (fur knockout mutant)\n\n\n# Class: (gadB knockout mutant)\n\n\n# Class: (gadW knockout mutant)\n\n\n# Class: (gadX knockout mutant)\n\n\n# Class: (gcvP knockout mutant)\n\n\n# Class: (gcvT knockout mutant)\n\n\n# Class: (grxA knockout mutant)\n\n\n# Class: (gss knockout mutant)\n\n\n# Class: (hda knockout mutant)\n\n\n# Class: (hcaR knockout mutant)\n\n\n# Class: (hdeA knockout mutant)\n\n\n# Class: (hdeB knockout mutant)\n\n\n# Class: (hfq knockout mutant)\n\n\n# Class: (hha knockout mutant)\n\n\n# Class: (hmp knockout mutant)\n\n\n# Class: (hns knockout mutant)\n\n\n# Class: (hslJ knockout mutant)\n\n\n# Class: (ihfA knockout mutant)\n\n\n# Class: (iscR knockout mutant)\n\n\n# Class: (kdpE knockout mutant)\n\n\n# Class: (ldcC knockout mutant)\n\n\n# Class: (lexA knockout mutant)\n\n\n# Class: (lon knockout mutant)\n\n\n# Class: (lsrK knockout mutant)\n\n\n# Class: (lsrR knockout mutant)\n\n\n# Class: (luxS knockout mutant)\n\n\n# Class: (mazF knockout mutant)\n\n\n# Class: (melR knockout mutant)\n\n\n# Class: (metJ knockout mutant)\n\n\n# Class: (mgrR knockout mutant)\n\n\n# Class: (mnmE knockout mutant)\n\n\n# Class: (mntR knockout mutant)\n\n\n# Class: (mqsR knockout mutant)\n\n\n# Class: (mutS knockout mutant)\n\n\n# Class: (narP knockout mutant)\n\n\n# Class: (narX knockout mutant)\n\n\n# Class: (norR knockout mutant)\n\n\n# Class: (nusA knockout mutant)\n\n\n# Class: (nusG knockout mutant)\n\n\n# Class: (pgi knockout mutant)\n\n\n# Class: (phoB knockout mutant)\n\n\n# Class: (phoH knockout mutant)\n\n\n# Class: (phoP knockout mutant)\n\n\n# Class: (phoQ knockout mutant)\n\n\n# Class: (phoU knockout mutant)\n\n\n# Class: (pnp knockout mutant)\n\n\n# Class: (ppsA knockout mutant)\n\n\n# Class: (ptsN knockout mutant)\n\n\n# Class: (qor knockout mutant)\n\n\n# Class: (qseB knockout mutant)\n\n\n# Class: (qseC knockout mutant)\n\n\n# Class: (recA knockout mutant)\n\n\n# Class: (recE knockout mutant)\n\n\n# Class: (rhlB knockout mutant)\n\n\n# Class: (ribB knockout mutant)\n\n\n# Class: (rne knockout mutant)\n\n\n# Class: (rng knockout mutant)\n\n\n# Class: (rpoN knockout mutant)\n\n\n# Class: (rraA knockout mutant)\n\n\n# Class: (rseA knockout mutant)\n\n\n# Class: (rutR knockout mutant)\n\n\n# Class: (seqA knockout mutant)\n\n\n# Class: (sgrR knockout mutant)\n\n\n# Class: (sgrS knockout mutant)\n\n\n# Class: (speA knockout mutant)\n\n\n# Class: (speB knockout mutant)\n\n\n# Class: (speC knockout mutant)\n\n\n# Class: (speD knockout mutant)\n\n\n# Class: (speE knockout mutant)\n\n\n# Class: (speF knockout mutant)\n\n\n# Class: (spy knockout mutant)\n\n\n# Class: (stpA knockout mutant)\n\n\n# Class: (sucA knockout mutant)\n\n\n# Class: (sucB knockout mutant)\n\n\n# Class: (tnaA knockout mutant)\n\n\n# Class: (trpE knockout mutant)\n\n\n# Class: (trpR knockout mutant)\n\n\n# Class: (ubiE knockout mutant)\n\n\n# Class: (ycaD knockout mutant)\n\n\n# Class: (yceB knockout mutant)\n\n\n# Class: (yceP knockout mutant)\n\n\n# Class: (ycfR knockout mutant)\n\n\n# Class: (ychH knockout mutant)\n\n\n# Class: (ydcR knockout mutant)\n\n\n# Class: (ygiN knockout mutant)\n\n\n# Class: (ygiW knockout mutant)\n\n\n# Class: (yjbJ knockout mutant)\n\n\n# Class: (yjiR knockout mutant)\n\n\n# Class: (yliH knockout mutant)\n\n\n# Class: (ymgB knockout mutant)\n\n\n# Class: (yncC knockout mutant)\n\n\n# Class: (yqhC knockout mutant)\n\n\n# Class: (cobB knockout mutant)\n\n\n# Class: (nsrR knockout mutant)\n\n\n# Class: (patZ knockout mutant)\n\n\n# Class: (mazE knockout mutant)\n\n\n# Class: (bdcA knockout mutant)\n\n\n# Class: (ybjN knockout mutant)\n\n\n# Class: (yjjP knockout mutant)\n\n\n# Class: (bglJ knockout mutant)\n\n\n# Class: (trpA knockout mutant)\n\n\n# Class: (yjjQ knockout mutant)\n\n\n# Class: (rcsB knockout mutant)\n\n\n# Class: (rimO knockout mutant)\n\n\n# Class: (pflB knockout mutant)\n\n\n# Class: (ycaO knockout mutant)\n\n\n# Class: (ldhA knockout mutant)\n\n\n# Class: (leuO knockout mutant)\n\n\n# Class: (hydrogen peroxide 1 mM)\n\n\n# Class: (OD600 of 0.03)\n\n\n# Class: (OD600 of 0.05)\n\n\n# Class: (OD600 of 0.1)\n\n\n# Class: (OD600 of 0.15)\n\n\n# Class: (OD600 of 0.2)\n\n\n# Class: (OD600 of 0.35)\n\n\n# Class: (OD600 of 0.6)\n\n\n# Class: (OD600 of 0.7)\n\n\n# Class: (OD600 of 0.8)\n\n\n# Class: (OD600 of 0.9)\n\n\n# Class: (OD600 of 0.95)\n\n\n# Class: (OD600 of 1.0)\n\n\n# Class: (OD600 of 1.1)\n\n\n# Class: (OD600 of 1.6)\n\n\n# Class: (OD600 of 1.7)\n\n\n# Class: (OD600 of 10)\n\n\n# Class: (OD600 of 15)\n\n\n# Class: (OD600 of 2)\n\n\n# Class: (OD600 of 2.4)\n\n\n# Class: (OD600 of 4)\n\n\n# Class: (OD600 of 1.3)\n\n\n# Class: (OD600 of 2.7)\n\n\n# Class: (OD600 of 4.5)\n\n\n# Class: (OD600 of 4.7)\n\n\n# Class: (OD600 of 4.8)\n\n\n# Class: (20.0 C)\n\n\n# Class: (25.0 C)\n\n\n# Class: (26.0 C)\n\n\n# Class: (33.0 C)\n\n\n# Class: (34.0 C)\n\n\n# Class: (35.7 C)\n\n\n# Class: (23.0 C)\n\n\n# Class: (16.0 C)\n\n\n# Class: (15.0 C)\n\n\n# Class: (hydrogen peroxide 2mM)\n\n\n# Class: (pH 5.5)\n\n\n# Class: (pH 4.5)\n\n\n# Class: (pH 5.7)\n\n\n# Class: (pH 8.5)\n\n\n# Class: (pH 8.7)\n\n\n# Class: (pH 11.8)\n\n\n# Class: (pH 3.5)\n\n\n# Class: (pH 5.3)\n\n\n# Class: (pH 7.4)\n\n\n# Class: (hydrogen peroxide 5.88mM)\n\n\n# Class: (hydrogen peroxide 10mM)\n\n\n# Class: (hydrogen peroxide 20mM)\n\n\n# Class: (hydrogen peroxide 30mM)\n\n\n# Class: (acetate 2 g/L)\n\n\n# Class: (ethanol 1.5% vol/vol)\n\n\n# Class: (ethanol 15% vol/vol)\n\n\n# Class: (ethanol 2% vol/vol)\n\n\n# Class: (ethanol 20% vol/vol)\n\n\n# Class: (ethanol 3% vol/vol)\n\n\n# Class: (ethanol 4% vol/vol)\n\n\n# Class: (glycerol 0.001 g/L)\n\n\n# Class: (glycerol 0.1 g/L)\n\n\n# Class: (glycerol 0.4 g/L)\n\n\n# Class: (glycerol 0.68 g/L)\n\n\n# Class: (glycerol 1 g/L)\n\n\n# Class: (glycerol 2 g/L)\n\n\n# Class: (glycerol 4 g/L)\n\n\n# Class: (indole 0.1mM)\n\n\n# Class: (indole 0.5M)\n\n\n# Class: (indole 1 mM)\n\n\n# Class: (nalidixic acid 10µg/ml)\n\n\n# Class: (nalidixic acid 100µg/ml)\n\n\n# Class: (nitrate 0.01 M)\n\n\n# Class: (nitrate 0.02 M)\n\n\n# Class: (norfloxacin 0.025 µg/ml)\n\n\n# Class: (norfloxacin 0.05 µg/ml)\n\n\n# Class: (norfloxacin 0.075 µg/ml)\n\n\n# Class: (norfloxacin 1 µg/mL)\n\n\n# Class: (norfloxacin 2.5 µg/ml)\n\n\n# Class: (sodium chloride 0.3 M)\n\n\n# Class: (sodium chloride 0.55 M)\n\n\n# Class: (sodium chloride 1 M)\n\n\n# Class: (sodium chloride 1.37 M)\n\n\n# Class: (sodium chloride 2 M)\n\n\n# Class: (sodium chloride 3.5 M)\n\n\n# Class: (sodium chloride 4 M)\n\n\n# Class: (sodium chloride 4.5 M)\n\n\n# Class: (sodium chloride 5.5 M)\n\n\n# Class: (sodium chloride 5 M)\n\n\n# Class: (sodium chloride 10 M)\n\n\n# Class: (OD650 from 0.3 to 0.4)\n\n\n# Class: (OD650 from 0.3 to 0.5)\n\n\n# Class: (OD650 from 0.3 to 0.6)\n\n\n# Class: (altered growth rate)\n\n\n# Class: (increased temperature)\n\n\n# Class: (decreased temperature)\n\n\n\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nDisjointClasses( )\nAnnotationAssertion(rdfs:comment \"\")\nAnnotationAssertion( \"EO:0001036\"^^xsd:string)\nAnnotationAssertion( \"EO:0001037\"^^xsd:string)\nAnnotationAssertion( \"EO:0001038\"^^xsd:string)\nAnnotationAssertion( \"EO:0007178\"^^xsd:string)\n) [Term] id: BFO:0000001 name: entity property_value: BFO:0000179 "entity" xsd:string property_value: BFO:0000180 "Entity" xsd:string property_value: editor_note "BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81" xsd:string property_value: editor_note "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000004", comment="per discussion with Barry Smith", http://www.w3.org/2000/01/rdf-schema#seeAlso="http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"} property_value: IAO:0000112 "Julius Caesar" xsd:string property_value: IAO:0000112 "the Second World War" xsd:string property_value: IAO:0000112 "Verdi’s Requiem" xsd:string property_value: IAO:0000112 "your body mass index" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/bfo.owl property_value: IAO:0000600 "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/001-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000002 name: continuant def: "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts." [] is_a: BFO:0000001 ! entity disjoint_from: BFO:0000003 ! occurrent property_value: BFO:0000179 "continuant" xsd:string property_value: BFO:0000180 "Continuant" xsd:string property_value: editor_note "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240" xsd:string property_value: editor_note "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000007"} property_value: IAO:0000412 http://purl.obolibrary.org/obo/bfo.owl property_value: IAO:0000600 "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/008-002"} property_value: IAO:0000601 "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/126-001"} property_value: IAO:0000601 "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/009-002"} property_value: IAO:0000601 "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/011-002"} property_value: IAO:0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/009-002"} property_value: IAO:0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/126-001"} property_value: IAO:0000602 "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/008-002"} property_value: IAO:0000602 "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/011-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000003 name: occurrent is_a: BFO:0000001 ! entity property_value: BFO:0000179 "occurrent" xsd:string property_value: BFO:0000180 "Occurrent" xsd:string property_value: editor_note "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region" xsd:string property_value: editor_note "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players." xsd:string property_value: editor_note "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000006", comment="per discussion with Barry Smith"} property_value: editor_note "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000012"} property_value: IAO:0000412 http://purl.obolibrary.org/obo/bfo.owl property_value: IAO:0000600 "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/077-002"} property_value: IAO:0000601 "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/079-001"} property_value: IAO:0000601 "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/108-001"} property_value: IAO:0000602 "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/108-001"} property_value: IAO:0000602 "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/079-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000004 name: independent continuant def: "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything." [] def: "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000031 ! generically dependent continuant property_value: BFO:0000179 "ic" xsd:string property_value: BFO:0000180 "IndependentContinuant" xsd:string property_value: IAO:0000112 "a chair" xsd:string property_value: IAO:0000112 "a heart" xsd:string property_value: IAO:0000112 "a leg" xsd:string property_value: IAO:0000112 "a molecule" xsd:string property_value: IAO:0000112 "a spatial region" xsd:string property_value: IAO:0000112 "an atom" xsd:string property_value: IAO:0000112 "an orchestra." xsd:string property_value: IAO:0000112 "an organism" xsd:string property_value: IAO:0000112 "the bottom right portion of a human torso" xsd:string property_value: IAO:0000112 "the interior of your mouth" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/bfo.owl property_value: IAO:0000601 "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/134-001"} property_value: IAO:0000601 "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/018-002"} property_value: IAO:0000602 "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/018-002"} property_value: IAO:0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/134-001"} property_value: IAO:0000602 "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000006 name: spatial region is_a: BFO:0000141 ! immaterial entity disjoint_from: BFO:0000029 ! site disjoint_from: BFO:0000140 ! continuant fiat boundary property_value: BFO:0000179 "s-region" xsd:string property_value: BFO:0000180 "SpatialRegion" xsd:string property_value: editor_note "BFO 2 Reference: Spatial regions do not participate in processes." xsd:string property_value: editor_note "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000002", comment="per discussion with Barry Smith"} property_value: IAO:0000600 "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/035-001"} property_value: IAO:0000601 "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/036-001"} property_value: IAO:0000602 "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/036-001"} property_value: IAO:0000602 "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/035-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000008 name: temporal region is_a: BFO:0000003 ! occurrent disjoint_from: BFO:0000011 ! spatiotemporal region disjoint_from: BFO:0000015 ! process disjoint_from: BFO:0000035 ! process boundary property_value: BFO:0000179 "t-region" xsd:string property_value: BFO:0000180 "TemporalRegion" xsd:string property_value: editor_note "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000003", comment="per discussion with Barry Smith"} property_value: IAO:0000600 "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/100-001"} property_value: IAO:0000601 "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/101-001"} property_value: IAO:0000601 "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/119-002"} property_value: IAO:0000602 "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/119-002"} property_value: IAO:0000602 "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/101-001"} property_value: IAO:0000602 "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/100-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000009 name: two-dimensional spatial region is_a: BFO:0000006 ! spatial region disjoint_from: BFO:0000028 ! three-dimensional spatial region property_value: BFO:0000179 "2d-s-region" xsd:string property_value: BFO:0000180 "TwoDimensionalSpatialRegion" xsd:string property_value: IAO:0000112 "an infinitely thin plane in space." xsd:string property_value: IAO:0000112 "the surface of a sphere-shaped part of space" xsd:string property_value: IAO:0000600 "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/039-001"} property_value: IAO:0000602 "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/039-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000011 name: spatiotemporal region is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "st-region" xsd:string property_value: BFO:0000180 "SpatiotemporalRegion" xsd:string property_value: IAO:0000112 "the spatiotemporal region occupied by a human life" xsd:string property_value: IAO:0000112 "the spatiotemporal region occupied by a process of cellular meiosis." xsd:string property_value: IAO:0000112 "the spatiotemporal region occupied by the development of a cancer tumor" xsd:string property_value: IAO:0000600 "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/095-001"} property_value: IAO:0000601 "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/096-001"} property_value: IAO:0000601 "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/099-001"} property_value: IAO:0000601 "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/098-001"} property_value: IAO:0000601 "Every spatiotemporal region occupies_spatiotemporal_region itself." xsd:string property_value: IAO:0000601 "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/107-002"} property_value: IAO:0000602 "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/107-002"} property_value: IAO:0000602 "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/099-001"} property_value: IAO:0000602 "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/096-001"} property_value: IAO:0000602 "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/098-001"} property_value: IAO:0000602 "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/095-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000015 name: process def: "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "process" xsd:string property_value: BFO:0000180 "Process" xsd:string property_value: editor_note "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)" xsd:string property_value: IAO:0000112 "a process of cell-division, \\ a beating of the heart" xsd:string property_value: IAO:0000112 "a process of meiosis" xsd:string property_value: IAO:0000112 "a process of sleeping" xsd:string property_value: IAO:0000112 "the course of a disease" xsd:string property_value: IAO:0000112 "the flight of a bird" xsd:string property_value: IAO:0000112 "the life of an organism" xsd:string property_value: IAO:0000112 "your process of aging." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/bfo.owl property_value: IAO:0000602 "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000016 name: disposition is_a: BFO:0000017 ! realizable entity property_value: BFO:0000179 "disposition" xsd:string property_value: BFO:0000180 "Disposition" xsd:string property_value: editor_note "BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type." xsd:string property_value: IAO:0000112 "an atom of element X has the disposition to decay to an atom of element Y" xsd:string property_value: IAO:0000112 "certain people have a predisposition to colon cancer" xsd:string property_value: IAO:0000112 "children are innately disposed to categorize objects in certain ways." xsd:string property_value: IAO:0000112 "the cell wall is disposed to filter chemicals in endocytosis and exocytosis" xsd:string property_value: IAO:0000600 "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/062-002"} property_value: IAO:0000601 "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/063-002"} property_value: IAO:0000602 "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/063-002"} property_value: IAO:0000602 "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/062-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000017 name: realizable entity is_a: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000019 ! quality property_value: BFO:0000179 "realizable" xsd:string property_value: BFO:0000180 "RealizableEntity" xsd:string property_value: IAO:0000112 "the disposition of this piece of metal to conduct electricity." xsd:string property_value: IAO:0000112 "the disposition of your blood to coagulate" xsd:string property_value: IAO:0000112 "the function of your reproductive organs" xsd:string property_value: IAO:0000112 "the role of being a doctor" xsd:string property_value: IAO:0000112 "the role of this boundary to delineate where Utah and Colorado meet" xsd:string property_value: IAO:0000600 "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/058-002"} property_value: IAO:0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/060-002"} property_value: IAO:0000602 "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/060-002"} property_value: IAO:0000602 "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/058-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000018 name: zero-dimensional spatial region is_a: BFO:0000006 ! spatial region disjoint_from: BFO:0000028 ! three-dimensional spatial region property_value: BFO:0000179 "0d-s-region" xsd:string property_value: BFO:0000180 "ZeroDimensionalSpatialRegion" xsd:string property_value: IAO:0000600 "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/037-001"} property_value: IAO:0000602 "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/037-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000019 name: quality is_a: BFO:0000020 ! specifically dependent continuant property_value: BFO:0000179 "quality" xsd:string property_value: BFO:0000180 "Quality" xsd:string property_value: IAO:0000112 "the ambient temperature of this portion of air" xsd:string property_value: IAO:0000112 "the color of a tomato" xsd:string property_value: IAO:0000112 "the length of the circumference of your waist" xsd:string property_value: IAO:0000112 "the mass of this piece of gold." xsd:string property_value: IAO:0000112 "the shape of your nose" xsd:string property_value: IAO:0000112 "the shape of your nostril" xsd:string property_value: IAO:0000600 "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/055-001"} property_value: IAO:0000601 "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/105-001"} property_value: IAO:0000602 "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/105-001"} property_value: IAO:0000602 "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/055-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000020 name: specifically dependent continuant def: "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} is_a: BFO:0000002 ! continuant property_value: BFO:0000179 "sdc" xsd:string property_value: BFO:0000180 "SpecificallyDependentContinuant" xsd:string property_value: editor_note "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000005", comment="per discussion with Barry Smith"} property_value: IAO:0000112 "of one-sided specifically dependent continuants: the mass of this tomato" xsd:string property_value: IAO:0000112 "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates." xsd:string property_value: IAO:0000112 "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key" xsd:string property_value: IAO:0000112 "the disposition of this fish to decay" xsd:string property_value: IAO:0000112 "the function of this heart: to pump blood" xsd:string property_value: IAO:0000112 "the mutual dependence of proton donors and acceptors in chemical reactions [79" xsd:string property_value: IAO:0000112 "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction" xsd:string property_value: IAO:0000112 "the pink color of a medium rare piece of grilled filet mignon at its center" xsd:string property_value: IAO:0000112 "the role of being a doctor" xsd:string property_value: IAO:0000112 "the shape of this hole." xsd:string property_value: IAO:0000112 "the smell of this portion of mozzarella" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/bfo.owl property_value: IAO:0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000024 name: fiat object part is_a: BFO:0000040 ! material entity property_value: BFO:0000179 "fiat-object-part" xsd:string property_value: BFO:0000180 "FiatObjectPart" xsd:string property_value: editor_note "BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions" xsd:string property_value: IAO:0000112 "or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29" xsd:string property_value: IAO:0000112 "the division of the brain into regions" xsd:string property_value: IAO:0000112 "the division of the planet into hemispheres" xsd:string property_value: IAO:0000112 "the dorsal and ventral surfaces of the body" xsd:string property_value: IAO:0000112 "the FMA:regional parts of an intact human body." xsd:string property_value: IAO:0000112 "the upper and lower lobes of the left lung" xsd:string property_value: IAO:0000112 "the Western hemisphere of the Earth" xsd:string property_value: IAO:0000600 "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/027-004"} property_value: IAO:0000602 "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/027-004"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000026 name: one-dimensional spatial region is_a: BFO:0000006 ! spatial region disjoint_from: BFO:0000028 ! three-dimensional spatial region property_value: BFO:0000179 "1d-s-region" xsd:string property_value: BFO:0000180 "OneDimensionalSpatialRegion" xsd:string property_value: IAO:0000112 "an edge of a cube-shaped portion of space." xsd:string property_value: IAO:0000600 "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/038-001"} property_value: IAO:0000602 "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/038-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000027 name: object aggregate is_a: BFO:0000040 ! material entity property_value: BFO:0000179 "object-aggregate" xsd:string property_value: BFO:0000180 "ObjectAggregate" xsd:string property_value: editor_note "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000301"} property_value: editor_note "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000011"} property_value: editor_note "BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee)." xsd:string property_value: IAO:0000112 "a collection of cells in a blood biobank." xsd:string property_value: IAO:0000112 "a swarm of bees is an aggregate of members who are linked together through natural bonds" xsd:string property_value: IAO:0000112 "a symphony orchestra" xsd:string property_value: IAO:0000112 "an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team)" xsd:string property_value: IAO:0000112 "defined by fiat: the aggregate of members of an organization" xsd:string property_value: IAO:0000112 "defined through physical attachment: the aggregate of atoms in a lump of granite" xsd:string property_value: IAO:0000112 "defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container" xsd:string property_value: IAO:0000112 "defined via attributive delimitations such as: the patients in this hospital" xsd:string property_value: IAO:0000112 "the aggregate of bearings in a constant velocity axle joint" xsd:string property_value: IAO:0000112 "the aggregate of blood cells in your body" xsd:string property_value: IAO:0000112 "the nitrogen atoms in the atmosphere" xsd:string property_value: IAO:0000112 "the restaurants in Palo Alto" xsd:string property_value: IAO:0000112 "your collection of Meissen ceramic plates." xsd:string property_value: IAO:0000119 "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000300"} property_value: IAO:0000600 "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/025-004"} property_value: IAO:0000602 "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/025-004"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000028 name: three-dimensional spatial region is_a: BFO:0000006 ! spatial region property_value: BFO:0000179 "3d-s-region" xsd:string property_value: BFO:0000180 "ThreeDimensionalSpatialRegion" xsd:string property_value: IAO:0000112 "a cube-shaped region of space" xsd:string property_value: IAO:0000112 "a sphere-shaped region of space," xsd:string property_value: IAO:0000600 "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/040-001"} property_value: IAO:0000602 "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/040-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000029 name: site is_a: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "site" xsd:string property_value: BFO:0000180 "Site" xsd:string property_value: IAO:0000112 "a hole in the interior of a portion of cheese" xsd:string property_value: IAO:0000112 "a rabbit hole" xsd:string property_value: IAO:0000112 "an air traffic control region defined in the airspace above an airport" xsd:string property_value: IAO:0000112 "Manhattan Canyon)" xsd:string property_value: IAO:0000112 "the cockpit of an aircraft" xsd:string property_value: IAO:0000112 "the Grand Canyon" xsd:string property_value: IAO:0000112 "the hold of a ship" xsd:string property_value: IAO:0000112 "the interior of a kangaroo pouch" xsd:string property_value: IAO:0000112 "the interior of the trunk of your car" xsd:string property_value: IAO:0000112 "the interior of your bedroom" xsd:string property_value: IAO:0000112 "the interior of your office" xsd:string property_value: IAO:0000112 "the interior of your refrigerator" xsd:string property_value: IAO:0000112 "the lumen of your gut" xsd:string property_value: IAO:0000112 "the Piazza San Marco" xsd:string property_value: IAO:0000112 "your left nostril (a fiat part – the opening – of your left nasal cavity)" xsd:string property_value: IAO:0000600 "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/034-002"} property_value: IAO:0000602 "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/034-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000030 name: object is_a: BFO:0000040 ! material entity property_value: BFO:0000179 "object" xsd:string property_value: BFO:0000180 "Object" xsd:string property_value: editor_note "BFO 2 Reference: an object is a maximal causally unified material entity" xsd:string property_value: editor_note "BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting." xsd:string property_value: editor_note "BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below)." xsd:string property_value: editor_note "BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47" xsd:string property_value: editor_note "BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74" xsd:string property_value: IAO:0000112 "atom" xsd:string property_value: IAO:0000112 "cell" xsd:string property_value: IAO:0000112 "cells and organisms" xsd:string property_value: IAO:0000112 "engineered artifacts" xsd:string property_value: IAO:0000112 "grain of sand" xsd:string property_value: IAO:0000112 "molecule" xsd:string property_value: IAO:0000112 "organelle" xsd:string property_value: IAO:0000112 "organism" xsd:string property_value: IAO:0000112 "planet" xsd:string property_value: IAO:0000112 "solid portions of matter" xsd:string property_value: IAO:0000112 "star" xsd:string property_value: IAO:0000600 "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/024-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000031 name: generically dependent continuant def: "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/074-001"} is_a: BFO:0000002 ! continuant property_value: BFO:0000179 "gdc" xsd:string property_value: BFO:0000180 "GenericallyDependentContinuant" xsd:string property_value: IAO:0000112 "The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity." xsd:string property_value: IAO:0000112 "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop" xsd:string property_value: IAO:0000112 "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule." xsd:string property_value: IAO:0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/074-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000034 name: function is_a: BFO:0000016 ! disposition property_value: BFO:0000179 "function" xsd:string property_value: BFO:0000180 "Function" xsd:string property_value: editor_note "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc." xsd:string property_value: IAO:0000112 "the function of a hammer to drive in nails" xsd:string property_value: IAO:0000112 "the function of a heart pacemaker to regulate the beating of a heart through electricity" xsd:string property_value: IAO:0000112 "the function of amylase in saliva to break down starch into sugar" xsd:string property_value: IAO:0000600 "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/064-001"} property_value: IAO:0000602 "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/064-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000035 name: process boundary def: "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/084-001"} is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "p-boundary" xsd:string property_value: BFO:0000180 "ProcessBoundary" xsd:string property_value: IAO:0000112 "the boundary between the 2nd and 3rd year of your life." xsd:string property_value: IAO:0000601 "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/085-002"} property_value: IAO:0000602 "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/085-002"} property_value: IAO:0000602 "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/084-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000038 name: one-dimensional temporal region is_a: BFO:0000008 ! temporal region disjoint_from: BFO:0000148 ! zero-dimensional temporal region property_value: BFO:0000179 "1d-t-region" xsd:string property_value: BFO:0000180 "OneDimensionalTemporalRegion" xsd:string property_value: editor_note "BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks)." xsd:string property_value: IAO:0000112 "the temporal region during which a process occurs." xsd:string property_value: IAO:0000600 "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/103-001"} property_value: IAO:0000602 "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/103-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000040 name: material entity def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] is_a: BFO:0000004 ! independent continuant disjoint_from: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "material" xsd:string property_value: BFO:0000180 "MaterialEntity" xsd:string property_value: editor_note "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60" xsd:string property_value: editor_note "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity." xsd:string property_value: editor_note "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here." xsd:string property_value: editor_note "Examples: collection of random bacteria, a chair, dorsal surface of the body" xsd:string property_value: editor_note "Material entity [snap:MaterialEntity] subsumes object [snap:Object], fiat object part [snap:FiatObjectPart], and object aggregate [snap:ObjectAggregate], which assume a three level theory of granularity, which is inadequate for some domains, such as biology." xsd:string property_value: IAO:0000111 "material entity" xsd:string property_value: IAO:0000112 "a flame" xsd:string property_value: IAO:0000112 "a forest fire" xsd:string property_value: IAO:0000112 "a human being" xsd:string property_value: IAO:0000112 "a hurricane" xsd:string property_value: IAO:0000112 "a photon" xsd:string property_value: IAO:0000112 "a puff of smoke" xsd:string property_value: IAO:0000112 "a sea wave" xsd:string property_value: IAO:0000112 "a tornado" xsd:string property_value: IAO:0000112 "an aggregate of human beings." xsd:string property_value: IAO:0000112 "an energy wave" xsd:string property_value: IAO:0000112 "an epidemic" xsd:string property_value: IAO:0000112 "the undetached arm of a human being" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/ido.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi/webService.owl property_value: IAO:0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/019-002"} property_value: IAO:0000601 "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/021-002"} property_value: IAO:0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/020-002"} property_value: IAO:0000602 "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/021-002"} property_value: IAO:0000602 "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/020-002"} property_value: IAO:0000602 "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/019-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000140 name: continuant fiat boundary def: "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/029-001"} is_a: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "cf-boundary" xsd:string property_value: BFO:0000180 "ContinuantFiatBoundary" xsd:string property_value: editor_note "BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29" xsd:string property_value: editor_note "BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions." xsd:string property_value: editor_note "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000008"} property_value: IAO:0000601 "Every continuant fiat boundary is located at some spatial region at every time at which it exists" xsd:string property_value: IAO:0000602 "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/029-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000141 name: immaterial entity is_a: BFO:0000004 ! independent continuant property_value: BFO:0000179 "immaterial" xsd:string property_value: BFO:0000180 "ImmaterialEntity" xsd:string property_value: editor_note "BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10" xsd:string property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000142 name: one-dimensional continuant fiat boundary is_a: BFO:0000140 ! continuant fiat boundary disjoint_from: BFO:0000146 ! two-dimensional continuant fiat boundary disjoint_from: BFO:0000147 ! zero-dimensional continuant fiat boundary property_value: BFO:0000179 "1d-cf-boundary" xsd:string property_value: BFO:0000180 "OneDimensionalContinuantFiatBoundary" xsd:string property_value: IAO:0000112 "all geopolitical boundaries" xsd:string property_value: IAO:0000112 "all lines of latitude and longitude" xsd:string property_value: IAO:0000112 "The Equator" xsd:string property_value: IAO:0000112 "the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin." xsd:string property_value: IAO:0000112 "the median sulcus of your tongue" xsd:string property_value: IAO:0000600 "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/032-001"} property_value: IAO:0000602 "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/032-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000144 name: process profile def: "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/093-002"} is_a: BFO:0000015 ! process disjoint_from: BFO:0000182 ! history property_value: BFO:0000179 "process-profile" xsd:string property_value: BFO:0000180 "ProcessProfile" xsd:string property_value: IAO:0000112 "On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels" xsd:string property_value: IAO:0000112 "One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance." xsd:string property_value: IAO:0000112 "The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on." xsd:string property_value: IAO:0000600 "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/094-005"} property_value: IAO:0000602 "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/094-005"} property_value: IAO:0000602 "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/093-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000145 name: relational quality def: "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/057-001"} is_a: BFO:0000019 ! quality property_value: BFO:0000179 "r-quality" xsd:string property_value: BFO:0000180 "RelationalQuality" xsd:string property_value: IAO:0000112 "a marriage bond, an instance of love, an obligation between one person and another." xsd:string property_value: IAO:0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married." xsd:string property_value: IAO:0000602 "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/057-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000146 name: two-dimensional continuant fiat boundary is_a: BFO:0000140 ! continuant fiat boundary property_value: BFO:0000179 "2d-cf-boundary" xsd:string property_value: BFO:0000180 "TwoDimensionalContinuantFiatBoundary" xsd:string property_value: IAO:0000600 "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/033-001"} property_value: IAO:0000602 "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/033-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000147 name: zero-dimensional continuant fiat boundary is_a: BFO:0000140 ! continuant fiat boundary property_value: BFO:0000179 "0d-cf-boundary" xsd:string property_value: BFO:0000180 "ZeroDimensionalContinuantFiatBoundary" xsd:string property_value: editor_note "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000001", comment="requested by Melanie Courtot", http://www.w3.org/2000/01/rdf-schema#seeAlso="ZDRnpiIi:TUJ"} property_value: IAO:0000112 "the geographic North Pole" xsd:string property_value: IAO:0000112 "the point of origin of some spatial coordinate system." xsd:string property_value: IAO:0000112 "the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet" xsd:string property_value: IAO:0000600 "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/031-001"} property_value: IAO:0000602 "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/031-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000148 name: zero-dimensional temporal region is_a: BFO:0000008 ! temporal region property_value: BFO:0000179 "0d-t-region" xsd:string property_value: BFO:0000180 "ZeroDimensionalTemporalRegion" xsd:string property_value: IAO:0000112 "a temporal region that is occupied by a process boundary" xsd:string property_value: IAO:0000112 "right now" xsd:string property_value: IAO:0000112 "the moment at which a child is born" xsd:string property_value: IAO:0000112 "the moment at which a finger is detached in an industrial accident" xsd:string property_value: IAO:0000112 "the moment of death." xsd:string property_value: IAO:0000118 "temporal instant." xsd:string property_value: IAO:0000600 "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/102-001"} property_value: IAO:0000602 "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001]" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/102-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000182 name: history is_a: BFO:0000015 ! process property_value: BFO:0000179 "history" xsd:string property_value: BFO:0000180 "History" xsd:string property_value: IAO:0000600 "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/138-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: CHEBI:100147 name: nalidixic acid namespace: chebi_ontology alt_id: CHEBI:7456 def: "A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid" RELATED [ChemIDplus] synonym: "1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure" RELATED [ChemIDplus] synonym: "1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid" RELATED [ChemIDplus] synonym: "1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid" RELATED [ChemIDplus] synonym: "1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid" RELATED [ChEMBL] synonym: "232.085" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "232.23530" RELATED MASS [ChEBI] synonym: "3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one" RELATED [ChemIDplus] synonym: "acide nalidixique" RELATED INN [ChemIDplus] synonym: "acido nalidixico" RELATED INN [ChemIDplus] synonym: "acidum nalidixicum" RELATED INN [ChemIDplus] synonym: "C12H12N2O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12" RELATED SMILES [ChEBI] synonym: "InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)" RELATED InChI [ChEBI] synonym: "MHWLWQUZZRMNGJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "NALIDIXIC ACID" EXACT [ChEMBL] synonym: "Nalidixic acid" EXACT [KEGG_COMPOUND] synonym: "nalidixic acid" RELATED INN [ChemIDplus] xref: CAS:389-08-2 "KEGG COMPOUND" xref: colombos:NALIDIXIC_ACID xref: Drug_Central:1875 "DrugCentral" xref: DrugBank:DB00779 xref: KEGG:C05079 xref: KEGG:D00183 xref: LINCS:LSM-5590 xref: Patent:BE612258 xref: Patent:US3590036 xref: PDBeChem:NIX xref: PMID:11321869 "Europe PMC" xref: PMID:12002106 "Europe PMC" xref: PMID:12399485 "Europe PMC" xref: PMID:12702698 "Europe PMC" xref: PMID:14107587 "Europe PMC" xref: PMID:16107187 "Europe PMC" xref: PMID:16423473 "Europe PMC" xref: PMID:16667857 "Europe PMC" xref: PMID:16803589 "Europe PMC" xref: PMID:17132068 "Europe PMC" xref: PMID:17631104 "Europe PMC" xref: PMID:18788798 "Europe PMC" xref: PMID:19071706 "Europe PMC" xref: PMID:28166217 "Europe PMC" xref: Reaxys:750515 "Reaxys" xref: Wikipedia:Nalidixic_Acid is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:73537 ! 1,8-naphthyridine derivative is_a: CHEBI:86324 ! quinolone antibiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: is_conjugate_acid_of CHEBI:62070 ! nalidixic acid anion [Term] id: CHEBI:100241 name: ciprofloxacin namespace: chebi_ontology alt_id: CHEBI:102718 alt_id: CHEBI:3717 alt_id: CHEBI:41638 def: "A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" RELATED [ChemIDplus] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" RELATED [ChEMBL] synonym: "1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid" RELATED [ChEMBL] synonym: "1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID" RELATED [PDBeChem] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid" RELATED [ChEMBL] synonym: "1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid" RELATED [ChEMBL] synonym: "1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid" RELATED [ChEMBL] synonym: "331.133" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "331.34150" RELATED MASS [ChEBI] synonym: "C17H18FN3O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "Ciprofloxacin" EXACT [KEGG_COMPOUND] synonym: "ciprofloxacin" EXACT [ChEMBL] synonym: "ciprofloxacin" RELATED INN [ChemIDplus] synonym: "ciprofloxacine" RELATED INN [ChemIDplus] synonym: "ciprofloxacino" RELATED INN [ChemIDplus] synonym: "ciprofloxacinum" RELATED INN [ChemIDplus] synonym: "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" RELATED InChI [ChEBI] synonym: "MYSWGUAQZAJSOK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O" RELATED SMILES [ChEBI] xref: Beilstein:3568352 "Beilstein" xref: CAS:85721-33-1 "KEGG COMPOUND" xref: colombos:CIPROFLOXACIN xref: Drug_Central:659 "DrugCentral" xref: DrugBank:DB00537 xref: HMDB:HMDB14677 xref: KEGG:C05349 xref: KEGG:D00186 xref: LINCS:LSM-5226 xref: Patent:DE3142854 xref: Patent:US4670444 xref: PDBeChem:CPF xref: PMID:10397494 "ChEMBL" xref: PMID:10737746 "ChEMBL" xref: Reaxys:3568352 "Reaxys" xref: Wikipedia:Ciprofloxacin is_a: CHEBI:23765 ! quinolone is_a: CHEBI:26512 ! quinolinemonocarboxylic acid is_a: CHEBI:36709 ! aminoquinoline is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:86324 ! quinolone antibiotic is_a: CHEBI:87211 ! fluoroquinolone antibiotic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor relationship: has_role CHEBI:53559 ! topoisomerase IV inhibitor relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:100246 name: norfloxacin namespace: chebi_ontology alt_id: CHEBI:7629 def: "A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" RELATED [ChemIDplus] synonym: "1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure" RELATED [ChemIDplus] synonym: "1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" RELATED [ChemIDplus] synonym: "1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "319.133" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "319.33080" RELATED MASS [ChEBI] synonym: "C16H18FN3O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)" RELATED InChI [ChEBI] synonym: "NFLX" RELATED [KEGG_DRUG] synonym: "norfloxacin" RELATED INN [KEGG_DRUG] synonym: "norfloxacine" RELATED INN [ChemIDplus] synonym: "norfloxacino" RELATED INN [ChemIDplus] synonym: "norfloxacinum" RELATED INN [ChemIDplus] synonym: "OGJPXUAPXNRGGI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:567897 "Beilstein" xref: CAS:70458-96-7 "KEGG COMPOUND" xref: colombos:NORFLOXACIN xref: Drug_Central:1967 "DrugCentral" xref: DrugBank:DB01059 xref: Gmelin:1576626 "Gmelin" xref: HMDB:HMDB15192 xref: KEGG:C06687 xref: KEGG:D00210 xref: LINCS:LSM-5286 xref: Patent:BE863429 xref: Patent:DE2840910 xref: Patent:US4146719 xref: Patent:US4292317 xref: PMID:3317294 "Europe PMC" xref: PMID:3908074 "Europe PMC" xref: PMID:6211142 "Europe PMC" xref: PMID:6224685 "Europe PMC" xref: PMID:6234465 "Europe PMC" xref: PMID:6454381 "Europe PMC" xref: PMID:6461606 "Europe PMC" xref: Reaxys:567897 "Reaxys" xref: Wikipedia:Norfloxacin is_a: CHEBI:23765 ! quinolone is_a: CHEBI:26512 ! quinolinemonocarboxylic acid is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:86324 ! quinolone antibiotic is_a: CHEBI:87211 ! fluoroquinolone antibiotic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:102484 name: sulfisoxazole namespace: chebi_ontology alt_id: CHEBI:9343 def: "A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "267.068" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "267.30400" RELATED MASS [ChEBI] synonym: "3,4-Dimethyl-5-sulfanilamidoisoxazole" RELATED [ChemIDplus] synonym: "3,4-Dimethyl-5-sulfonamidoisoxazole" RELATED [ChemIDplus] synonym: "3,4-Dimethyl-5-sulphanilamidoisoxazole" RELATED [ChemIDplus] synonym: "3,4-Dimethyl-5-sulphonamidoisoxazole" RELATED [ChemIDplus] synonym: "3,4-Dimethylisoxazole-5-sulfanilamide" RELATED [ChemIDplus] synonym: "3,4-Dimethylisoxazole-5-sulphanilamide" RELATED [ChemIDplus] synonym: "4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide" RELATED [NIST_Chemistry_WebBook] synonym: "4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide" RELATED [ChemIDplus] synonym: "4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole" RELATED [ChemIDplus] synonym: "5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole" RELATED [ChemIDplus] synonym: "5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole" RELATED [ChemIDplus] synonym: "5-Sulfanilamido-3,4-dimethylisoxazole" RELATED [ChemIDplus] synonym: "5-Sulphanilamido-3,4-dimethyl-isoxazole" RELATED [ChemIDplus] synonym: "C11H13N3O3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C" RELATED SMILES [ChEBI] synonym: "InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3" RELATED InChI [ChEBI] synonym: "N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide" RELATED [ChemIDplus] synonym: "N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide" RELATED [ChemIDplus] synonym: "N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide" RELATED [ChemIDplus] synonym: "NHUHCSRWZMLRLA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Sulfadimethylisoxazole" RELATED [DrugBank] synonym: "Sulfafurazol" RELATED [DrugBank] synonym: "sulfafurazole" RELATED INN [KEGG_DRUG] synonym: "sulfafurazolum" RELATED INN [ChemIDplus] synonym: "Sulfaisoxazole" RELATED [DrugBank] synonym: "Sulfasoxazole" RELATED [DrugBank] synonym: "Sulfisonazole" RELATED [DrugBank] synonym: "Sulfisoxasole" RELATED [DrugBank] synonym: "Sulfisoxazol" RELATED [DrugBank] synonym: "Sulfofurazole" RELATED [DrugBank] synonym: "Sulphadimethylisoxazole" RELATED [NIST_Chemistry_WebBook] synonym: "Sulphafurazol" RELATED [DrugBank] synonym: "Sulphafurazole" RELATED [DrugBank] synonym: "Sulphaisoxazole" RELATED [DrugBank] synonym: "Sulphisoxazol" RELATED [DrugBank] synonym: "Sulphofurazole" RELATED [DrugBank] xref: Beilstein:263871 "Beilstein" xref: CAS:127-69-5 "ChemIDplus" xref: colombos:SULFISOXAZOLE xref: colombos:SULFISOXAZOLE\:+UNKNOWN xref: Drug_Central:2529 "DrugCentral" xref: DrugBank:DB00263 xref: Gmelin:864477 "Gmelin" xref: KEGG:C07318 xref: KEGG:D00450 xref: LINCS:LSM-3120 xref: Patent:US2430094 xref: PMID:1861917 "Europe PMC" xref: PMID:4960234 "Europe PMC" xref: PMID:7356572 "Europe PMC" xref: Wikipedia:Sulfisoxazole is_a: CHEBI:55373 ! isoxazoles is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_functional_parent CHEBI:45373 ! sulfanilamide relationship: has_role CHEBI:36047 ! antibacterial drug [Term] id: CHEBI:10545 name: electron namespace: chebi_ontology def: "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "0.000548579903" RELATED MASS [ChEBI] synonym: "[*-]" RELATED SMILES [ChEBI] synonym: "beta" RELATED [IUPAC] synonym: "beta(-)" RELATED [ChEBI] synonym: "beta-particle" RELATED [IUPAC] synonym: "e" RELATED [IUPAC] synonym: "e(-)" RELATED [UniProt] synonym: "e-" RELATED [KEGG_COMPOUND] synonym: "electron" EXACT [KEGG_COMPOUND] synonym: "electron" EXACT IUPAC_NAME [IUPAC] synonym: "electron" EXACT [ChEBI] synonym: "negatron" RELATED [IUPAC] xref: KEGG:C05359 xref: PMID:21614077 "Europe PMC" is_a: CHEBI:36338 ! lepton [Term] id: CHEBI:10642 name: scyllo-inositol namespace: chebi_ontology alt_id: CHEBI:26614 subset: 3_STAR synonym: "(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,3,5/2,4,6-cyclohexanehexol" RELATED [IUPAC] synonym: "180.063" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "180.15588" RELATED MASS [ChEBI] synonym: "C6H12O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "CDAISMWEOUEBRE-CDRYSYESSA-N" RELATED InChIKey [ChEBI] synonym: "Cocositol" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-" RELATED InChI [ChEBI] synonym: "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "Quercinitol" RELATED [ChemIDplus] synonym: "Scyllitol" RELATED [ChemIDplus] synonym: "scyllo-Inositol" EXACT [KEGG_COMPOUND] synonym: "scyllo-inositol" EXACT IUPAC_NAME [IUPAC] synonym: "scyllo-inositol" EXACT [UniProt] xref: Beilstein:2206312 "Beilstein" xref: CAS:488-59-5 "KEGG COMPOUND" xref: Gmelin:561300 "Gmelin" xref: KEGG:C06153 xref: PMID:24352657 "Europe PMC" xref: Reaxys:2206312 "Reaxys" is_a: CHEBI:24848 ! inositol relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:113455 name: sodium benzoate namespace: chebi_ontology def: "An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "144.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "144.103" RELATED MASS [ChEBI] synonym: "Benzoic acid, sodium salt" RELATED [ChemIDplus] synonym: "C(C=1C=CC=CC1)([O-])=O.[Na+]" RELATED SMILES [ChEBI] synonym: "C7H5NaO2" RELATED FORMULA [ChEBI] synonym: "E211" RELATED [ChEBI] synonym: "InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1" RELATED InChI [ChEBI] synonym: "Sodium benzoate" RELATED BRAND_NAME [KEGG_DRUG] synonym: "sodium benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "WXMKPNITSTVMEF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: CAS:532-32-1 "ChemIDplus" xref: colombos:SODIUM_BENZOATE xref: colombos:SODIUMBENZOATE xref: KEGG:D02277 xref: PMID:25377186 "Europe PMC" xref: PMID:25582668 "Europe PMC" xref: PMID:26585641 "Europe PMC" xref: PMID:26706697 "Europe PMC" xref: PMID:26749113 "Europe PMC" xref: PMID:26870932 "Europe PMC" xref: PMID:26875563 "Europe PMC" xref: PMID:26907495 "Europe PMC" xref: PMID:26951541 "Europe PMC" xref: PMID:26989415 "Europe PMC" xref: PMID:27000017 "Europe PMC" xref: Reaxys:1100243 "Reaxys" xref: Wikipedia:Sodium_benzoate is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:16150 ! benzoate relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor relationship: has_role CHEBI:65001 ! EC 3.1.1.3 (triacylglycerol lipase) inhibitor relationship: has_role CHEBI:65256 ! antimicrobial food preservative relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: has_role CHEBI:88188 ! drug allergen [Term] id: CHEBI:11955 name: 4-amino-3-hydroxybutanoate namespace: chebi_ontology def: "The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "118.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "118.11126" RELATED MASS [ChEBI] synonym: "4-Amino-3-hydroxybutanoate" EXACT [KEGG_COMPOUND] synonym: "C4H8NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1" RELATED InChI [ChEBI] synonym: "NCC(O)CC([O-])=O" RELATED SMILES [ChEBI] synonym: "YQGDEPYYFWUPGO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: CAS:352-21-6 "KEGG COMPOUND" xref: KEGG:C03678 "ChEBI" is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion is_a: CHEBI:71666 ! gamma-amino acid anion relationship: has_functional_parent CHEBI:17968 ! butyrate relationship: is_conjugate_base_of CHEBI:16080 ! gamma-amino-beta-hydroxybutyric acid relationship: is_conjugate_base_of CHEBI:57630 ! gamma-amino-beta-hydroxybutyric acid zwitterion [Term] id: CHEBI:12936 name: D-galactose namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "180.15588" RELATED MASS [ChEBI] synonym: "C6H12O6" RELATED FORMULA [ChEBI] synonym: "D-Gal" RELATED [JCBN] synonym: "D-galacto-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "D-galactose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:17608 ! D-aldohexose is_a: CHEBI:28260 ! galactose relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:131367 name: 3-hydroxy-3-butenoic acid namespace: chebi_ontology def: "A 3-hydroxymonocarboxylic acid that is the 3-hydroxy derivative of 3-butenoic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "102.032" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "102.089" RELATED MASS [ChEBI] synonym: "3-hydroxybut-3-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C4H6O3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h5H,1-2H2,(H,6,7)" RELATED InChI [ChEBI] synonym: "OC(CC(O)=O)=C" RELATED SMILES [ChEBI] synonym: "YMXHTKKMLXGXDC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Chemspider:8637633 is_a: CHEBI:1549 ! 3-hydroxymonocarboxylic acid is_a: CHEBI:33823 ! enol relationship: is_tautomer_of CHEBI:15344 ! acetoacetic acid [Term] id: CHEBI:131401 name: hexopyranosyl hexopyranoside namespace: chebi_ontology def: "A disaccharide formed by a (1<->1)-glycosidic bond between two hexopyranose units." [] subset: 3_STAR synonym: "hexopyranosyl hexopyranoside" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24407 ! glycosyl glycoside [Term] id: CHEBI:131604 name: Mycoplasma genitalium metabolite namespace: chebi_ontology def: "Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium." [] subset: 3_STAR synonym: "Mycoplasma genitalium metabolites" RELATED [ChEBI] is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:131620 name: C24-steroid namespace: chebi_ontology def: "A steroid compound with a structure based on a 24-carbon (cholane) skeleton." [] subset: 3_STAR synonym: "C24-steroids" RELATED [ChEBI] is_a: CHEBI:131657 ! cholane derivative [Term] id: CHEBI:131657 name: cholane derivative namespace: chebi_ontology def: "Any steroid (or derivative) based on a cholane skeleton." [] subset: 3_STAR synonym: "cholane derivatives" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35519 ! cholane [Term] id: CHEBI:131878 name: cholanic acid anion namespace: chebi_ontology def: "Any steroid acid anion based on a cholanic acid skeleton." [] subset: 3_STAR synonym: "cholanic acid anions" RELATED [ChEBI] synonym: "cholanoic acid anions" RELATED [ChEBI] is_a: CHEBI:36235 ! bile acid anion [Term] id: CHEBI:131879 name: cholanic acid conjugate anion namespace: chebi_ontology def: "An organic anion obtained by deprotonation of any cholanic acid conjugate." [] subset: 3_STAR synonym: "cholanic acid conjugate anions" RELATED [SUBMITTER] synonym: "cholanoic acid conjugate anion" RELATED [SUBMITTER] synonym: "cholanoic acid conjugate anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:131927 name: dicarboxylic acids and O-substituted derivatives namespace: chebi_ontology def: "A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens." [] subset: 3_STAR synonym: "dicarboxylic acids and derivatives" RELATED [ChEBI] is_a: CHEBI:36586 ! carbonyl compound [Term] id: CHEBI:132130 name: hydroxyquinone namespace: chebi_ontology def: "Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group." [] subset: 3_STAR synonym: "hydroxyquinones" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:36141 ! quinone [Term] id: CHEBI:132142 name: 1,4-naphthoquinones namespace: chebi_ontology def: "A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring." [] subset: 3_STAR is_a: CHEBI:25481 ! naphthoquinone is_a: CHEBI:25830 ! p-quinones [Term] id: CHEBI:132155 name: hydroxynaphthoquinone namespace: chebi_ontology def: "Any naphthoquinone in which the naphthaoquinone moiety is substituted by at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxynaphthoquinones" RELATED [ChEBI] xref: Wikipedia:Hydroxynaphthoquinone is_a: CHEBI:132130 ! hydroxyquinone is_a: CHEBI:25481 ! naphthoquinone [Term] id: CHEBI:132157 name: hydroxy-1,4-naphthoquinone namespace: chebi_ontology def: "Any member of the class of 1,4-naphthoquinones in which the naphthoquinone moiety is substituted by at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxy-1,4-naphthoquinones" RELATED [ChEBI] is_a: CHEBI:132142 ! 1,4-naphthoquinones is_a: CHEBI:132155 ! hydroxynaphthoquinone [Term] id: CHEBI:132362 name: citrate(4-) namespace: chebi_ontology def: "A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "187.996" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "188.092" RELATED MASS [ChEBI] synonym: "2-oxido-1,2,3-propanetricarboxylate" RELATED [ChEBI] synonym: "2-oxidopropane-1,2,3-tricarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "C(=O)([O-])C(CC(=O)[O-])(CC(=O)[O-])[O-]" RELATED SMILES [ChEBI] synonym: "C6H4O7" RELATED FORMULA [ChEBI] synonym: "citric acid tetraanion" RELATED [ChEBI] synonym: "InChI=1S/C6H7O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)(H,11,12)/q-1/p-3" RELATED InChI [ChEBI] synonym: "KSXLKRAZYZIYCZ-UHFFFAOYSA-K" RELATED InChIKey [ChEBI] xref: Chemspider:34552020 is_a: CHEBI:133748 ! citrate anion relationship: is_conjugate_base_of CHEBI:16947 ! citrate(3-) [Term] id: CHEBI:13248 name: anilide namespace: chebi_ontology def: "Any aromatic amide obtained by acylation of aniline." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "120.045" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.12860" RELATED MASS [ChEBI] synonym: "[*]C(=O)Nc1ccccc1" RELATED SMILES [ChEBI] synonym: "an anilide" RELATED [UniProt] synonym: "C7H6NOR" RELATED FORMULA [ChEBI] synonym: "N-phenyl amide" RELATED [ChEBI] synonym: "N-phenyl amides" RELATED [ChEBI] xref: KEGG:C01402 xref: PMID:23535982 "Europe PMC" xref: PMID:23968552 "Europe PMC" xref: PMID:24273122 "Europe PMC" xref: PMID:6205897 "Europe PMC" is_a: CHEBI:22712 ! benzenes is_a: CHEBI:62733 ! aromatic amide relationship: has_functional_parent CHEBI:17296 ! aniline [Term] id: CHEBI:132717 name: bleaching agent namespace: chebi_ontology def: "A reagent that lightens or whitens a substrate through chemical reaction. Bleaching reactions usually involve oxidative or reductive processes that degrade colour systems. Bleaching can occur by destroying one or more of the double bonds in the conjugated chain, by cleaving the conjugated chain, or by oxidation of one of the other moieties in the conjugated chain. Their reactivity results in many bleaches having strong bactericidal, disinfecting, and sterilising properties." [] subset: 3_STAR xref: Wikipedia:Bleach is_a: CHEBI:33893 ! reagent [Term] id: CHEBI:132943 name: aspartate namespace: chebi_ontology subset: 1_STAR synonym: "aspartate anion" RELATED [ChEBI] synonym: "aspartic acid anion" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:35693 ! dicarboxylic acid anion relationship: is_conjugate_base_of CHEBI:22660 ! aspartic acid relationship: MCO:0000858 MCO:0000865 ! sucrose 15% nitrogen source [Term] id: CHEBI:132950 name: tartrate namespace: chebi_ontology alt_id: CHEBI:35396 def: "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of any tartaric acid." [] subset: 3_STAR synonym: "tartaric acid anion" RELATED [ChEBI] synonym: "tartaric acid anions" RELATED [ChEBI] synonym: "tartrate" EXACT [ChEBI] synonym: "tartrate anion" RELATED [ChEBI] synonym: "tartrate anions" RELATED [ChEBI] synonym: "tartrates" RELATED [ChEBI] is_a: CHEBI:33798 ! tetraric acid anion [Term] id: CHEBI:132951 name: maleate namespace: chebi_ontology def: "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of maleic acid." [] subset: 3_STAR synonym: "maleate anion" RELATED [ChEBI] synonym: "maleate anions" RELATED [ChEBI] synonym: "maleates" RELATED [ChEBI] synonym: "maleic acid anion" RELATED [ChEBI] synonym: "maleic acid anions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion relationship: is_conjugate_base_of CHEBI:18300 ! maleic acid [Term] id: CHEBI:133292 name: 3-oxo fatty acid anion namespace: chebi_ontology def: "An oxo fatty acid anion obtained by deprotonation of the carboxy group of any 3-oxo fatty acid." [] subset: 3_STAR synonym: "*C(CC(=O)[O-])=O" RELATED SMILES [ChEBI] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "3-keto fatty acid anion" RELATED [SUBMITTER] synonym: "3-keto fatty acid anions" RELATED [ChEBI] synonym: "86.000" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "86.046" RELATED MASS [ChEBI] synonym: "a 3-oxo fatty acid" RELATED [UniProt] synonym: "C3H2O3R" RELATED FORMULA [ChEBI] is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion is_a: CHEBI:59836 ! oxo fatty acid anion relationship: is_conjugate_base_of CHEBI:134416 ! 3-oxo fatty acid [Term] id: CHEBI:133331 name: metal oxide namespace: chebi_ontology def: "An inorganic oxide that is an oxide of any metal." [] subset: 3_STAR synonym: "metal oxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide [Term] id: CHEBI:133341 name: choline chloride namespace: chebi_ontology def: "A quaternary ammonium salt with choline cation and chloride anion." [] subset: 3_STAR synonym: "(2-Hydroxyethyl)trimethylammonium chloride" RELATED [ChemIDplus] synonym: "(beta-Hydroxyethyl)trimethylammonium chloride" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "139.076" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "139.624" RELATED MASS [ChEBI] synonym: "2-Hydroxy-N,N,N,-trimethylethanaminium chloride" RELATED [ChemIDplus] synonym: "2-hydroxy-N,N,N-trimethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "[Cl-].[N+](CCO)(C)(C)C" RELATED SMILES [ChEBI] synonym: "Bilineurin chloride" RELATED [ChemIDplus] synonym: "Biocolina" RELATED [ChemIDplus] synonym: "Biocoline" RELATED [ChemIDplus] synonym: "C5H14ClNO" RELATED FORMULA [ChEBI] synonym: "Chloride de choline" RELATED [ChemIDplus] synonym: "Chlorure de choline" RELATED INN [ChemIDplus] synonym: "Choline chlorhydrate" RELATED [ChemIDplus] synonym: "choline chloride" RELATED INN [ChEBI] synonym: "Choline hydrochloride" RELATED [ChemIDplus] synonym: "Cholini chloridum" RELATED INN [ChemIDplus] synonym: "Cholinium chloride" RELATED [ChemIDplus] synonym: "Cloruro de colina" RELATED INN [ChemIDplus] synonym: "Hepacholine" RELATED [ChemIDplus] synonym: "InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI] synonym: "Lipotril" RELATED [ChemIDplus] synonym: "Luridin chloride" RELATED [ChemIDplus] synonym: "Paresan" RELATED [ChemIDplus] synonym: "SGMZJAMFUVOLNK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "Trimethyl(2-hydroxyethyl)ammonium chloride" RELATED [ChemIDplus] xref: Beilstein:3563126 "Beilstein" xref: CAS:67-48-1 "NIST Chemistry WebBook" xref: PMID:12962717 "Europe PMC" xref: PMID:17596274 "Europe PMC" xref: PMID:20396712 "Europe PMC" xref: PMID:24905385 "Europe PMC" xref: PMID:25037344 "Europe PMC" xref: PMID:6196640 "Europe PMC" xref: PMID:8047569 "Europe PMC" xref: Reaxys:3563126 "Reaxys" xref: Wikipedia:Choline_chloride is_a: CHEBI:23114 ! chloride salt is_a: CHEBI:35273 ! quaternary ammonium salt relationship: has_part CHEBI:15354 ! choline relationship: has_role CHEBI:82655 ! animal growth promotant [Term] id: CHEBI:133673 name: glyphosate(1-) namespace: chebi_ontology def: "An organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups as well as protonation of the amino group of glyphosate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "168.006" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "168.065" RELATED MASS [ChEBI] synonym: "C3H7NO5P" RELATED FORMULA [ChEBI] synonym: "glyphosate" RELATED [UniProt] synonym: "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-1" RELATED InChI [ChEBI] synonym: "O=C([O-])C[NH2+]CP(=O)(O)[O-]" RELATED SMILES [ChEBI] synonym: "XDDAORKBJWWYJS-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_acid_of CHEBI:67052 ! glyphosate(2-) relationship: is_conjugate_base_of CHEBI:27744 ! glyphosate [Term] id: CHEBI:133748 name: citrate anion namespace: chebi_ontology def: "A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of citric acid." [] subset: 3_STAR synonym: "citrate" RELATED [ChEBI] synonym: "citrate anions" RELATED [ChEBI] is_a: CHEBI:35753 ! tricarboxylic acid anion relationship: is_conjugate_base_of CHEBI:30769 ! citric acid [Term] id: CHEBI:133773 name: pimelate namespace: chebi_ontology def: "A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of pimelic acid." [] subset: 3_STAR synonym: "heptanedioic acid anion" RELATED [ChEBI] synonym: "heptanedioic acid anions" RELATED [ChEBI] synonym: "pimelates" RELATED [ChEBI] synonym: "pimelic acid anion" RELATED [ChEBI] synonym: "pimelic acid anions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion relationship: is_conjugate_base_of CHEBI:30531 ! pimelic acid [Term] id: CHEBI:134084 name: EC 1.15.1.1 (superoxide dismutase) inhibitor namespace: chebi_ontology subset: 1_STAR synonym: "copper-zinc superoxide dismutase inhibitor" RELATED [ChEBI] synonym: "copper-zinc superoxide dismutase inhibitors" RELATED [ChEBI] synonym: "Cu,Zn-SOD inhibitor" RELATED [ChEBI] synonym: "Cu,Zn-SOD inhibitors" RELATED [ChEBI] synonym: "Cu-Zn superoxide dismutase inhibitor" RELATED [ChEBI] synonym: "Cu-Zn superoxide dismutase inhibitors" RELATED [ChEBI] synonym: "cuprein inhibitor" RELATED [ChEBI] synonym: "cuprein inhibitors" RELATED [ChEBI] synonym: "cytocuprein inhibitor" RELATED [ChEBI] synonym: "cytocuprein inhibitors" RELATED [ChEBI] synonym: "EC 1.15.1.1 (superoxide dismutase) inhibitors" RELATED [ChEBI] synonym: "EC 1.15.1.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.15.1.1 inhibitors" RELATED [ChEBI] synonym: "erythrocuprein inhibitor" RELATED [ChEBI] synonym: "erythrocuprein inhibitors" RELATED [ChEBI] synonym: "Fe-SOD inhibitor" RELATED [ChEBI] synonym: "Fe-SOD inhibitors" RELATED [ChEBI] synonym: "ferrisuperoxide dismutase inhibitor" RELATED [ChEBI] synonym: "ferrisuperoxide dismutase inhibitors" RELATED [ChEBI] synonym: "hemocuprein inhibitor" RELATED [ChEBI] synonym: "hemocuprein inhibitors" RELATED [ChEBI] synonym: "hepatocuprein inhibitor" RELATED [ChEBI] synonym: "hepatocuprein inhibitors" RELATED [ChEBI] synonym: "Mn-SOD inhibitor" RELATED [ChEBI] synonym: "Mn-SOD inhibitors" RELATED [ChEBI] synonym: "SOD inhibitor" RELATED [ChEBI] synonym: "SOD inhibitors" RELATED [ChEBI] synonym: "SOD-1 inhibitor" RELATED [ChEBI] synonym: "SOD-1 inhibitors" RELATED [ChEBI] synonym: "SOD-2 inhibitor" RELATED [ChEBI] synonym: "SOD-2 inhibitors" RELATED [ChEBI] synonym: "SOD-3 inhibitor" RELATED [ChEBI] synonym: "SOD-3 inhibitors" RELATED [ChEBI] synonym: "SOD-4 inhibitor" RELATED [ChEBI] synonym: "SOD-4 inhibitors" RELATED [ChEBI] synonym: "SODF inhibitor" RELATED [ChEBI] synonym: "SODF inhibitors" RELATED [ChEBI] synonym: "SODS inhibitor" RELATED [ChEBI] synonym: "SODS inhibitors" RELATED [ChEBI] synonym: "superoxidase dismutase inhibitor" RELATED [ChEBI] synonym: "superoxidase dismutase inhibitors" RELATED [ChEBI] synonym: "superoxide dismutase (EC 1.15.1.1) inhibitor" RELATED [ChEBI] synonym: "superoxide dismutase (EC 1.15.1.1) inhibitors" RELATED [ChEBI] synonym: "superoxide dismutase I inhibitor" RELATED [ChEBI] synonym: "superoxide dismutase I inhibitors" RELATED [ChEBI] synonym: "superoxide dismutase II inhibitor" RELATED [ChEBI] synonym: "superoxide dismutase II inhibitors" RELATED [ChEBI] synonym: "superoxide dismutase inhibitor" RELATED [ChEBI] synonym: "superoxide dismutase inhibitors" RELATED [ChEBI] synonym: "superoxide:superoxide oxidoreductase inhibitor" RELATED [ChEBI] synonym: "superoxide:superoxide oxidoreductase inhibitors" RELATED [ChEBI] is_a: CHEBI:76742 ! EC 1.15.* (oxidoreductase acting on superoxide as acceptor) inhibitor [Term] id: CHEBI:134107 name: CHIR-090 namespace: chebi_ontology def: "An L-threonine derivative obtained by formal condensation of the carboxy group of 4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzoic acid with the amino group of N-hydroxy-L-threoninamide." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "437.195" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "437.489" RELATED MASS [ChEBI] synonym: "C24H27N3O5" RELATED FORMULA [ChEBI] synonym: "FQYBTYFKOHPWQT-VGSWGCGISA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1" RELATED InChI [ChEBI] synonym: "N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide" EXACT IUPAC_NAME [IUPAC] synonym: "O1CCN(CC1)CC2=CC=C(C=C2)C#CC3=CC=C(C(=O)N[C@@H]([C@H](O)C)C(=O)NO)C=C3" RELATED SMILES [ChEBI] xref: colombos:CHIR-090 xref: PMCID:PMC3197220 "Europe PMC" xref: PMID:17335290 "Europe PMC" xref: PMID:18025458 "Europe PMC" xref: PMID:20516283 "Europe PMC" xref: PMID:21171638 "Europe PMC" xref: PMID:22024823 "Europe PMC" xref: PMID:26833150 "Europe PMC" xref: PMID:27330072 "Europe PMC" xref: PMID:27526195 "Europe PMC" xref: Reaxys:18777591 "Reaxys" is_a: CHEBI:22702 ! benzamides is_a: CHEBI:24650 ! hydroxamic acid is_a: CHEBI:38785 ! morpholines is_a: CHEBI:73474 ! acetylenic compound is_a: CHEBI:84189 ! L-threonine derivative relationship: has_role CHEBI:134108 ! lipopolysaccharide biosynthesis inhibitor relationship: has_role CHEBI:134109 ! EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:134108 name: lipopolysaccharide biosynthesis inhibitor namespace: chebi_ontology def: "Any compound that inhibits the biosynthesis of any lipopolysaccharide." [] subset: 3_STAR synonym: "lipopolysaccharide biosynthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:134109 name: EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor namespace: chebi_ontology def: "An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of UDP-3-O-acyl-N-acetylglucosamine deacetylase (EC 3.5.1.108)." [] subset: 3_STAR synonym: "deacetylase LpxC inhibitor" RELATED [ChEBI] synonym: "deacetylase LpxC inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.108 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.108 inhibitors" RELATED [ChEBI] synonym: "LpxC deacetylase inhibitor" RELATED [ChEBI] synonym: "LpxC deacetylase inhibitors" RELATED [ChEBI] synonym: "LpxC enzyme inhibitor" RELATED [ChEBI] synonym: "LpxC enzyme inhibitors" RELATED [ChEBI] synonym: "LpxC inhibitor" RELATED [ChEBI] synonym: "LpxC inhibitors" RELATED [ChEBI] synonym: "UDP-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase inhibitor" RELATED [ChEBI] synonym: "UDP-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase inhibitors" RELATED [ChEBI] synonym: "UDP-(3-O-acyl)-N-acetylglucosamine deacetylase inhibitor" RELATED [ChEBI] synonym: "UDP-(3-O-acyl)-N-acetylglucosamine deacetylase inhibitors" RELATED [ChEBI] synonym: "UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitor" RELATED [ChEBI] synonym: "UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitors" RELATED [ChEBI] synonym: "UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitor" RELATED [ChEBI] synonym: "UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitors" RELATED [ChEBI] synonym: "UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-alpha-D-glucosamine amidohydrolase inhibitor" RELATED [ChEBI] synonym: "UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-alpha-D-glucosamine amidohydrolase inhibitors" RELATED [ChEBI] synonym: "UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine amidohydrolase inhibitor" RELATED [ChEBI] synonym: "UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine amidohydrolase inhibitors" RELATED [ChEBI] synonym: "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase inhibitor" RELATED [ChEBI] synonym: "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase inhibitors" RELATED [ChEBI] synonym: "UDP-3-O-acyl-GlcNAc deacetylase inhibitor" RELATED [ChEBI] synonym: "UDP-3-O-acyl-GlcNAc deacetylase inhibitors" RELATED [ChEBI] xref: Wikipedia:UDP-3-O-N-acetylglucosamine_deacetylase is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] id: CHEBI:134179 name: volatile organic compound namespace: chebi_ontology def: "Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa." [] subset: 3_STAR synonym: "VOC" RELATED [ChEBI] synonym: "VOCs" RELATED [ChEBI] synonym: "volatile organic compounds" RELATED [ChEBI] xref: colombos:VOC xref: colombos:VOC\:-1+1 xref: Wikipedia:Volatile_organic_compound is_a: CHEBI:72695 ! organic molecule property_value: MCO:0000190 "volatile organic compounds" xsd:string [Term] id: CHEBI:134249 name: alkanesulfonate oxoanion namespace: chebi_ontology alt_id: CHEBI:22318 def: "An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "93.972" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "94.091" RELATED MASS [ChEBI] synonym: "alkanesulfonate oxoanions" RELATED [ChEBI] synonym: "alkanesulfonates" RELATED [ChEBI] synonym: "an alkanesulfonate" RELATED [UniProt] synonym: "C(S([O-])(=O)=O)*" RELATED SMILES [ChEBI] synonym: "CH2O3SR" RELATED FORMULA [ChEBI] xref: MetaCyc:Alkanesulfonates is_a: CHEBI:33554 ! organosulfonate oxoanion [Term] id: CHEBI:134363 name: tertiary amine oxide namespace: chebi_ontology def: "An N-oxide where there are three organic groups bonded to the nitrogen atom." [] subset: 3_STAR synonym: "*[N+](*)([O-])*" RELATED SMILES [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "29.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "30.006" RELATED MASS [ChEBI] synonym: "NOR3" RELATED FORMULA [ChEBI] synonym: "tertiary amine oxides" RELATED [ChEBI] xref: Patent:EP0545208 xref: Patent:EP0757983 xref: Patent:EP0866058 xref: Patent:EP1068179 xref: Patent:US4206204 xref: Patent:WO9950236 is_a: CHEBI:35580 ! N-oxide relationship: has_functional_parent CHEBI:50996 ! tertiary amino compound [Term] id: CHEBI:134416 name: 3-oxo fatty acid namespace: chebi_ontology def: "Any oxo fatty acid in which an oxo substituent is located at position 3." [] subset: 3_STAR synonym: "3-keto fatty acid" RELATED [ChEBI] synonym: "3-keto fatty acids" RELATED [ChEBI] synonym: "3-oxo fatty acids" RELATED [ChEBI] is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid is_a: CHEBI:59644 ! oxo fatty acid relationship: is_conjugate_acid_of CHEBI:133292 ! 3-oxo fatty acid anion [Term] id: CHEBI:134438 name: titanium oxides namespace: chebi_ontology def: "A class containing any titanium molecular entity that is an oxide of titanium." [] subset: 3_STAR synonym: "titanium oxide" RELATED [ChEBI] is_a: CHEBI:37217 ! titanium molecular entity [Term] id: CHEBI:134441 name: titanium oxide nanoparticle namespace: chebi_ontology def: "A nanoparticle composed of any titanium oxide." [] subset: 3_STAR is_a: CHEBI:134438 ! titanium oxides is_a: CHEBI:52855 ! inorganic nanoparticle [Term] id: CHEBI:13643 name: glycol namespace: chebi_ontology def: "A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent." [] subset: 3_STAR synonym: "a glycol" RELATED [UniProt] synonym: "glycols" EXACT IUPAC_NAME [IUPAC] synonym: "Glykol" RELATED [ChEBI] is_a: CHEBI:23824 ! diol [Term] id: CHEBI:136622 name: aci-nitro compound namespace: chebi_ontology def: "Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "59.001" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "59.024" RELATED MASS [ChEBI] synonym: "aci-nitro compounds" RELATED [ChEBI] synonym: "C(*)(=[N+](O)[O-])*" RELATED SMILES [ChEBI] synonym: "CHNO2R2" RELATED FORMULA [ChEBI] synonym: "oxime N-oxide" RELATED [ChEBI] synonym: "oxime N-oxides" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_functional_parent CHEBI:25750 ! oxime relationship: is_tautomer_of CHEBI:35716 ! C-nitro compound [Term] id: CHEBI:136849 name: 3-oxo-Delta(4)-steroid group namespace: chebi_ontology def: "An organic group derived from any 3-oxo-Delta(4)-steroid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "94.042" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "94.111" RELATED MASS [ChEBI] synonym: "a 3-oxo-Delta4-steroid group" RELATED [UniProt] synonym: "C1=C(C*)*C(CC1=O)*" RELATED SMILES [ChEBI] synonym: "C6H6O" RELATED FORMULA [ChEBI] is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:136859 name: pro-agent namespace: chebi_ontology def: "A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent." [] subset: 3_STAR synonym: "pro-agents" RELATED [ChEBI] synonym: "proagent" RELATED [ChEBI] synonym: "proagents" RELATED [ChEBI] xref: PMID:26449612 "Europe PMC" is_a: CHEBI:33232 ! application [Term] id: CHEBI:136889 name: 5beta steroid namespace: chebi_ontology subset: 1_STAR synonym: "5beta steroids" RELATED [ChEBI] synonym: "5beta-steroid" RELATED [ChEBI] synonym: "5beta-steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:13705 name: acetoacetate namespace: chebi_ontology def: "A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "101.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "101.08070" RELATED MASS [ChEBI] synonym: "3-oxobutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "Acetoacetate" EXACT [KEGG_COMPOUND] synonym: "acetoacetate" EXACT [UniProt] synonym: "Acetoacetate ion(1-)" RELATED [ChemIDplus] synonym: "Butanoic acid, 3-oxo-, ion(1-)" RELATED [ChemIDplus] synonym: "C4H5O3" RELATED FORMULA [ChEBI] synonym: "CC(=O)CC([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1" RELATED InChI [ChEBI] synonym: "WDJHALXBUFZDSR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4128534 "Beilstein" xref: CAS:141-81-1 "ChemIDplus" xref: KEGG:C00164 xref: MetaCyc:3-KETOBUTYRATE xref: Reaxys:4128534 "Reaxys" xref: UM-BBD_compID:c0069 "UM-BBD" is_a: CHEBI:133292 ! 3-oxo fatty acid anion relationship: has_functional_parent CHEBI:17968 ! butyrate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15344 ! acetoacetic acid [Term] id: CHEBI:137081 name: CORM 3 namespace: chebi_ontology def: "Water-soluble carbon monoxide-releasing molecule." [] subset: 2_STAR synonym: "0" RELATED CHARGE [SUBMITTER] synonym: "292.591" RELATED MASS [SUBMITTER] synonym: "292.866" RELATED MONOISOTOPIC_MASS [SUBMITTER] synonym: "[Ru+2]1([Cl-])([O-]C(=O)C[N]1)([C]=O)([C]=O)[C]=O" RELATED SMILES [ChEBI] synonym: "C5H2ClNO5Ru" RELATED FORMULA [SUBMITTER] synonym: "Carbon monoxide releasing molecule 3" RELATED [SUBMITTER] synonym: "InChI=1S/C2H3NO2.3CO.ClH.Ru/c3-1-2(4)5;3*1-2;;/h1H2,(H,4,5);;;;1H;/q;;;;;+2/p-2" RELATED InChI [ChEBI] synonym: "Tricarbonylchloro(glycinato)ruthenium" RELATED [SUBMITTER] synonym: "UQJJDVOKPPHMJI-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] xref: CAS:475473-26-8 "SUBMITTER" xref: colombos:CORM-3 xref: PDBeChem:318487530 "SUBMITTER" is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:137980 name: metalloid atom namespace: chebi_ontology def: "An atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included." [] subset: 3_STAR synonym: "metalloid" RELATED [ChEBI] synonym: "metalloids" RELATED [ChEBI] xref: Wikipedia:Metalloid is_a: CHEBI:33250 ! atom [Term] id: CHEBI:137982 name: tertiary amine(1+) namespace: chebi_ontology def: "A compound formally derived from ammonium by replacing three hydrogen atoms by hydrocarbyl groups." [] subset: 2_STAR synonym: "+1" RELATED CHARGE [SUBMITTER] synonym: "15.011" RELATED MONOISOTOPIC_MASS [SUBMITTER] synonym: "15.015" RELATED MASS [SUBMITTER] synonym: "[NH+](*)(*)*" RELATED SMILES [ChEBI] synonym: "a tertiary amine" RELATED [UniProt] synonym: "HNR3" RELATED FORMULA [SUBMITTER] is_a: CHEBI:50860 ! organic molecular entity relationship: is_conjugate_acid_of CHEBI:32876 ! tertiary amine [Term] id: CHEBI:138015 name: endocrine disruptor namespace: chebi_ontology def: "Any compound that can disrupt the functions of the endocrine (hormone) system" [] subset: 3_STAR synonym: "endocrine disrupting chemical" RELATED [ChEBI] synonym: "endocrine disrupting chemicals" RELATED [ChEBI] synonym: "endocrine disrupting compound" RELATED [ChEBI] synonym: "endocrine disrupting compounds" RELATED [ChEBI] synonym: "endocrine disruptors" RELATED [ChEBI] synonym: "endocrine-disrupting chemical" RELATED [ChEBI] synonym: "endocrine-disrupting chemicals" RELATED [ChEBI] synonym: "hormonally active agent" RELATED [ChEBI] synonym: "hormonally active agents" RELATED [ChEBI] xref: PMID:27929035 "Europe PMC" xref: PMID:28356401 "Europe PMC" xref: PMID:28526231 "Europe PMC" xref: Wikipedia:Endocrine_disruptor is_a: CHEBI:51061 ! hormone receptor modulator [Term] id: CHEBI:13941 name: carbamate namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "60.009" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.03212" RELATED MASS [ChEBI] synonym: "Carbamat" RELATED [ChEBI] synonym: "carbamate" EXACT [UniProt] synonym: "carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "carbamate ion" RELATED [ChemIDplus] synonym: "carbamic acid, ion(1-)" RELATED [ChemIDplus] synonym: "CH2NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1" RELATED InChI [ChEBI] synonym: "Karbamat" RELATED [ChEBI] synonym: "KXDHJXZQYSOELW-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "NC([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:3903503 "Beilstein" xref: CAS:302-11-4 "ChemIDplus" xref: Gmelin:239604 "Gmelin" is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:28616 ! carbamic acid [Term] id: CHEBI:14314 name: D-glucose 6-phosphate namespace: chebi_ontology def: "A D-glucose monophosphate in which the phosphate group is attached to position 6." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "260.13578" RELATED MASS [ChEBI] synonym: "6-O-phosphono-D-glucose" RELATED [IUPAC] synonym: "C6H13O9P" RELATED FORMULA [ChEBI] synonym: "D-glucose 6-(dihydrogen phosphate)" RELATED [IUPAC] is_a: CHEBI:17348 ! D-aldohexose 6-phosphate is_a: CHEBI:21006 ! D-glucose monophosphate relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:14336 name: glycerol 1-phosphate namespace: chebi_ontology def: "A glycerol monophosphate having the phosphate group located at position 1." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,2,3-propanetriol, 1-(dihydrogen phosphate)" RELATED [ChemIDplus] synonym: "1-glycerophosphate" RELATED [ChemIDplus] synonym: "1-glycerophosphoric acid" RELATED [ChemIDplus] synonym: "1-phosphoglycerol" RELATED [ChEBI] synonym: "172.014" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "172.07370" RELATED MASS [ChEBI] synonym: "2,3-dihydroxypropyl dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "2,3-dihydroxypropyl dihydrogen phosphate" RELATED [ChEBI] synonym: "2,3-hydroxy-1-propyl dihydrogen phosphate" RELATED [ChemIDplus] synonym: "3-glycerophosphate" RELATED [ChemIDplus] synonym: "alpha-glycerophosphoric acid" RELATED [ChemIDplus] synonym: "alpha-phosphoglycerol" RELATED [ChemIDplus] synonym: "AWUCVROLDVIAJX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C3H9O6P" RELATED FORMULA [ChEBI] synonym: "D,L-alpha-glycerol-phosphate" RELATED [MetaCyc] synonym: "DL-glycerol 1-phosphate" RELATED [MetaCyc] synonym: "DL-Glycerol 3-phosphate" RELATED [HMDB] synonym: "DL-Glycerol 3-phosphate" RELATED [KEGG_COMPOUND] synonym: "DL-Glyceryl 1-phosphate" RELATED [KEGG_COMPOUND] synonym: "glycerol 1-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "Glycerol 1-phosphate" EXACT [KEGG_COMPOUND] synonym: "glycerol alpha-phosphate" RELATED [ChemIDplus] synonym: "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)" RELATED InChI [ChEBI] synonym: "OCC(O)COP(O)(O)=O" RELATED SMILES [ChEBI] synonym: "PG" RELATED [ChEBI] synonym: "rac-Glycerol 1-phosphate" RELATED [KEGG_COMPOUND] xref: CAS:57-03-4 "KEGG COMPOUND" xref: HMDB:HMDB00126 xref: KEGG:C03189 xref: MetaCyc:Glycerol-1-phosphate xref: PMID:1694860 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:6083437 "Europe PMC" xref: Reaxys:1723974 "Reaxys" xref: Wikipedia:Glycerol_1-phosphate is_a: CHEBI:16890 ! glycerol monophosphate relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:231935 ! glycerol 1-phosphate(2-) [Term] id: CHEBI:15138 name: sulfide(2-) namespace: chebi_ontology def: "A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "31.972" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "32.06600" RELATED MASS [ChEBI] synonym: "[S--]" RELATED SMILES [ChEBI] synonym: "InChI=1S/S/q-2" RELATED InChI [ChEBI] synonym: "S" RELATED FORMULA [ChEBI] synonym: "S(2-)" RELATED [IUPAC] synonym: "sulfanediide" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfide" RELATED [ChemIDplus] synonym: "sulfide" RELATED [UniProt] synonym: "sulfide(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "sulphide" RELATED [ChEBI] synonym: "UCKMPCXJQFINFW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:18496-25-8 "ChemIDplus" xref: UM-BBD_compID:c0569 "UM-BBD" is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:29919 ! hydrosulfide [Term] id: CHEBI:15193 name: tartrate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "148.07096" RELATED MASS [ChEBI] synonym: "C4H4O6" RELATED FORMULA [ChEBI] synonym: "rel-(2R,3R)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5740673 "Beilstein" is_a: CHEBI:30929 ! 2,3-dihydroxybutanedioate relationship: is_conjugate_base_of CHEBI:35397 ! tartrate(1-) [Term] id: CHEBI:15339 name: acceptor namespace: chebi_ontology alt_id: CHEBI:13699 alt_id: CHEBI:2377 def: "A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity." [] subset: 3_STAR synonym: "A" RELATED [KEGG_COMPOUND] synonym: "accepteur" RELATED [ChEBI] synonym: "Acceptor" EXACT [KEGG_COMPOUND] synonym: "acceptor" EXACT [UniProt] synonym: "Akzeptor" RELATED [ChEBI] synonym: "Hydrogen-acceptor" RELATED [KEGG_COMPOUND] synonym: "Oxidized donor" RELATED [KEGG_COMPOUND] xref: KEGG:C00028 xref: KEGG:C16722 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:15344 name: acetoacetic acid namespace: chebi_ontology alt_id: CHEBI:22172 alt_id: CHEBI:2391 alt_id: CHEBI:40507 def: "A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "102.032" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "102.08864" RELATED MASS [ChEBI] synonym: "3-ketobutanoic acid" RELATED [ChEBI] synonym: "3-Ketobutyric acid" RELATED [HMDB] synonym: "3-Oxobutanoic acid" RELATED [KEGG_COMPOUND] synonym: "3-oxobutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-Oxobutyric acid" RELATED [ChemIDplus] synonym: "Acetoacetic acid" EXACT [KEGG_COMPOUND] synonym: "beta-Ketobutyric acid" RELATED [KEGG_COMPOUND] synonym: "C4H6O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(=O)CC(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)" RELATED InChI [ChEBI] synonym: "WDJHALXBUFZDSR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1747690 "Beilstein" xref: CAS:541-50-4 "KEGG COMPOUND" xref: DrugBank:DB01762 xref: HMDB:HMDB00060 xref: KEGG:C00164 xref: KNApSAcK:C00007458 xref: LIPID_MAPS_instance:LMFA01060003 "LIPID MAPS" xref: MetaCyc:3-KETOBUTYRATE xref: PMID:17190852 "Europe PMC" xref: PMID:20444635 "Europe PMC" xref: PMID:21806064 "Europe PMC" xref: PMID:22382897 "Europe PMC" xref: PMID:3884391 "Europe PMC" xref: Reaxys:1747690 "Reaxys" xref: UM-BBD_compID:c0069 "ChEBI" xref: Wikipedia:Acetoacetic_acid is_a: CHEBI:134416 ! 3-oxo fatty acid is_a: CHEBI:73693 ! ketone body relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: is_conjugate_acid_of CHEBI:13705 ! acetoacetate relationship: is_tautomer_of CHEBI:131367 ! 3-hydroxy-3-butenoic acid [Term] id: CHEBI:15346 name: coenzyme A namespace: chebi_ontology alt_id: CHEBI:13294 alt_id: CHEBI:13295 alt_id: CHEBI:13298 alt_id: CHEBI:23355 alt_id: CHEBI:3771 alt_id: CHEBI:41597 alt_id: CHEBI:41631 alt_id: CHEBI:741566 def: "A thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}" EXACT IUPAC_NAME [IUPAC] synonym: "3'-phosphoadenosine-(5')diphospho(4')pantatheine" RELATED [ChEBI] synonym: "767.115" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "767.53540" RELATED MASS [ChEBI] synonym: "[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate" RELATED [ChEBI] synonym: "C21H36N7O16P3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS" RELATED SMILES [ChEBI] synonym: "CoA" RELATED [KEGG_COMPOUND] synonym: "CoA-SH" RELATED [KEGG_COMPOUND] synonym: "CoASH" RELATED [ChEBI] synonym: "Coenzym A" RELATED [ChEBI] synonym: "COENZYME A" EXACT [PDBeChem] synonym: "Coenzyme A" EXACT [KEGG_COMPOUND] synonym: "HSCoA" RELATED [ChEBI] synonym: "InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1" RELATED InChI [ChEBI] synonym: "Koenzym A" RELATED [ChEBI] synonym: "RGJOEKWQDUBAIZ-IBOSZNHHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:77809 "Beilstein" xref: CAS:85-61-0 "KEGG COMPOUND" xref: DrugBank:DB01992 xref: KEGG:C00010 xref: KNApSAcK:C00007258 xref: PDBeChem:COA xref: PDBeChem:COZ xref: PMID:11923312 "Europe PMC" xref: PMID:13025483 "Europe PMC" xref: PMID:15014152 "Europe PMC" xref: PMID:15893380 "Europe PMC" xref: PMID:18407920 "Europe PMC" xref: PMID:19666462 "Europe PMC" xref: PMID:20351285 "Europe PMC" xref: PMID:2981478 "Europe PMC" xref: PMID:7310833 "ChEMBL" xref: Wikipedia:Coenzyme_A is_a: CHEBI:37240 ! adenosine 3',5'-bisphosphate relationship: has_functional_parent CHEBI:16761 ! ADP relationship: has_role CHEBI:23354 ! coenzyme relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:57287 ! coenzyme A(4-) [Term] id: CHEBI:15351 name: acetyl-CoA namespace: chebi_ontology alt_id: CHEBI:13712 alt_id: CHEBI:22192 alt_id: CHEBI:2408 alt_id: CHEBI:40470 def: "An acyl-CoA having acetyl as its S-acetyl component." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "809.126" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "809.57208" RELATED MASS [ChEBI] synonym: "AcCoA" RELATED [ChEBI] synonym: "Acetyl coenzyme A" RELATED [KEGG_COMPOUND] synonym: "Acetyl-CoA" EXACT [KEGG_COMPOUND] synonym: "C23H38N7O17P3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12" RELATED SMILES [ChEBI] synonym: "InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1" RELATED InChI [ChEBI] synonym: "S-acetyl-CoA" RELATED [ChEBI] synonym: "S-acetyl-coenzyme A" RELATED [ChEBI] synonym: "ZSLZBFCDCINBPY-ZSJPKINUSA-N" RELATED InChIKey [ChEBI] xref: CAS:72-89-9 "KEGG COMPOUND" xref: ECMDB:ECMDB01206 xref: HMDB:HMDB01206 xref: KEGG:C00024 xref: KNApSAcK:C00007259 xref: PDBeChem:ACO xref: PMID:12527305 "Europe PMC" xref: PMID:12739170 "Europe PMC" xref: PMID:15247244 "Europe PMC" xref: PMID:16101314 "Europe PMC" xref: PMID:16667687 "Europe PMC" xref: PMID:16708165 "Europe PMC" xref: PMID:17189273 "Europe PMC" xref: PMID:17242360 "Europe PMC" xref: PMID:17631502 "Europe PMC" xref: PMID:18613815 "Europe PMC" xref: PMID:19356710 "Europe PMC" xref: PMID:19596230 "Europe PMC" xref: PMID:19914586 "Europe PMC" xref: PMID:3950616 "Europe PMC" xref: Reaxys:78145 "Reaxys" xref: UM-BBD_compID:c0031 "ChEBI" xref: Wikipedia:Acetyl-CoA xref: YMDB:YMDB00312 is_a: CHEBI:17984 ! acyl-CoA relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: has_role CHEBI:23354 ! coenzyme relationship: has_role CHEBI:35224 ! effector relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:57288 ! acetyl-CoA(4-) [Term] id: CHEBI:15354 name: choline namespace: chebi_ontology alt_id: CHEBI:13985 alt_id: CHEBI:23212 alt_id: CHEBI:3665 alt_id: CHEBI:41524 def: "A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "104.108" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "104.17080" RELATED MASS [ChEBI] synonym: "2-hydroxy-N,N,N-trimethylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "Bilineurine" RELATED [KEGG_COMPOUND] synonym: "C5H14NO" RELATED FORMULA [ChEBI] synonym: "C[N+](C)(C)CCO" RELATED SMILES [ChEBI] synonym: "Choline" EXACT [KEGG_COMPOUND] synonym: "choline" EXACT [UniProt] synonym: "CHOLINE ION" RELATED [PDBeChem] synonym: "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" RELATED InChI [ChEBI] synonym: "N,N,N-trimethylethanol-ammonium" RELATED [ChEBI] synonym: "N-trimethylethanolamine" RELATED [ChEBI] synonym: "OEYIOHPDSNJKLS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "trimethylethanolamine" RELATED [ChEBI] xref: Beilstein:1736748 "Beilstein" xref: CAS:62-49-7 "KEGG COMPOUND" xref: Drug_Central:3097 "DrugCentral" xref: DrugBank:DB00122 xref: ECMDB:ECMDB00097 xref: Gmelin:324597 "Gmelin" xref: HMDB:HMDB00097 xref: KEGG:C00114 xref: KEGG:D07690 xref: KNApSAcK:C00007298 xref: MetaCyc:CHOLINE xref: PDBeChem:CHT xref: PMID:10930630 "Europe PMC" xref: PMID:12826235 "Europe PMC" xref: PMID:12946691 "Europe PMC" xref: PMID:14972364 "Europe PMC" xref: PMID:16210714 "Europe PMC" xref: PMID:17087106 "Europe PMC" xref: PMID:17283071 "Europe PMC" xref: PMID:17344490 "Europe PMC" xref: PMID:18204095 "Europe PMC" xref: PMID:18230680 "Europe PMC" xref: PMID:18786517 "Europe PMC" xref: PMID:18786520 "Europe PMC" xref: PMID:19246089 "Europe PMC" xref: PMID:20038853 "Europe PMC" xref: PMID:20446114 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:22961562 "Europe PMC" xref: PMID:23095202 "Europe PMC" xref: PMID:23616508 "Europe PMC" xref: PMID:23637565 "Europe PMC" xref: PMID:23733158 "Europe PMC" xref: PMID:6420466 "Europe PMC" xref: PMID:7590654 "Europe PMC" xref: PMID:9517478 "Europe PMC" xref: Reaxys:1736748 "Reaxys" xref: Wikipedia:Choline xref: YMDB:YMDB00227 is_a: CHEBI:23217 ! cholines relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:33284 ! nutrient relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite [Term] id: CHEBI:15356 name: cysteine namespace: chebi_ontology alt_id: CHEBI:14061 alt_id: CHEBI:23508 alt_id: CHEBI:4050 def: "A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "121.020" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "121.15922" RELATED MASS [ChEBI] synonym: "2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "2-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "C" RELATED [ChEBI] synonym: "C3H7NO2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "cisteina" RELATED [ChEBI] synonym: "Cys" RELATED [ChEBI] synonym: "Cystein" RELATED [ChEBI] synonym: "Cysteine" EXACT [KEGG_COMPOUND] synonym: "cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine" EXACT [ChEBI] synonym: "Hcys" RELATED [IUPAC] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" RELATED InChI [ChEBI] synonym: "NC(CS)C(O)=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Zystein" RELATED [ChEBI] xref: Beilstein:1721406 "Beilstein" xref: CAS:3374-22-9 "KEGG COMPOUND" xref: colombos:CYSTEINE xref: colombos:CYSTEINE\:+UNKNOWNg/L xref: Gmelin:2933 "Gmelin" xref: KEGG:C00736 xref: KNApSAcK:C00001351 xref: KNApSAcK:C00007323 xref: PMID:17439666 "Europe PMC" xref: PMID:25181601 "Europe PMC" xref: Reaxys:1721406 "Reaxys" xref: Wikipedia:Cysteine is_a: CHEBI:26834 ! sulfur-containing amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50326 ! sulfanylmethyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32458 ! cysteinium relationship: is_tautomer_of CHEBI:35237 ! cysteine zwitterion [Term] id: CHEBI:15361 name: pyruvate namespace: chebi_ontology alt_id: CHEBI:14987 alt_id: CHEBI:26462 def: "A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-oxopropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxopropanoate" RELATED [ChEBI] synonym: "2-oxopropanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "87.008" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "87.05412" RELATED MASS [ChEBI] synonym: "C3H3O3" RELATED FORMULA [ChEBI] synonym: "CC(=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1" RELATED InChI [ChEBI] synonym: "LCTONWCANYUPML-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "pyruvate" EXACT [UniProt] xref: Beilstein:3587721 "Beilstein" xref: CAS:57-60-3 "ChemIDplus" xref: colombos:PYRUVATE xref: Gmelin:2502 "Gmelin" xref: KEGG:C00022 "ChEBI" xref: PMID:17190852 "Europe PMC" xref: PMID:21603897 "Europe PMC" xref: PMID:21823181 "Europe PMC" xref: PMID:21854850 "Europe PMC" xref: PMID:22006570 "Europe PMC" xref: PMID:22016370 "Europe PMC" xref: PMID:22215378 "Europe PMC" xref: PMID:22311625 "Europe PMC" xref: PMID:22451307 "Europe PMC" xref: PMID:22458763 "Europe PMC" xref: Reaxys:3587721 "Reaxys" xref: UM-BBD_compID:c0159 "ChEBI" is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion relationship: has_functional_parent CHEBI:17272 ! propionate relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:32816 ! pyruvic acid [Term] id: CHEBI:15366 name: acetic acid namespace: chebi_ontology alt_id: CHEBI:22169 alt_id: CHEBI:2387 alt_id: CHEBI:40486 def: "A simple monocarboxylic acid containing two carbons." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "60.021" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "60.05200" RELATED MASS [ChEBI] synonym: "ACETIC ACID" EXACT [PDBeChem] synonym: "Acetic acid" EXACT [KEGG_COMPOUND] synonym: "acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide acetique" RELATED [ChemIDplus] synonym: "AcOH" RELATED [ChEBI] synonym: "C2H4O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(O)=O" RELATED SMILES [ChEBI] synonym: "CH3-COOH" RELATED [IUPAC] synonym: "CH3CO2H" RELATED [ChEBI] synonym: "E 260" RELATED [ChEBI] synonym: "E-260" RELATED [ChEBI] synonym: "E260" RELATED [ChEBI] synonym: "Essigsaeure" RELATED [ChEBI] synonym: "Ethanoic acid" RELATED [KEGG_COMPOUND] synonym: "ethoic acid" RELATED [ChEBI] synonym: "Ethylic acid" RELATED [ChemIDplus] synonym: "HOAc" RELATED [ChEBI] synonym: "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" RELATED InChI [ChEBI] synonym: "INS No. 260" RELATED [ChEBI] synonym: "MeCO2H" RELATED [ChEBI] synonym: "MeCOOH" RELATED [ChEBI] synonym: "Methanecarboxylic acid" RELATED [ChemIDplus] synonym: "QTBSBXVTEAMEQO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:506007 "Beilstein" xref: CAS:64-19-7 "KEGG COMPOUND" xref: Drug_Central:4211 "DrugCentral" xref: Gmelin:1380 "Gmelin" xref: HMDB:HMDB00042 xref: KEGG:C00033 xref: KEGG:D00010 xref: KNApSAcK:C00001176 xref: LIPID_MAPS_instance:LMFA01010002 "LIPID MAPS" xref: MetaCyc:ACET xref: PDBeChem:ACT xref: PDBeChem:ACY xref: PMID:12005138 "Europe PMC" xref: PMID:15107950 "Europe PMC" xref: PMID:16630552 "Europe PMC" xref: PMID:16774200 "Europe PMC" xref: PMID:17190852 "Europe PMC" xref: PMID:19416101 "Europe PMC" xref: PMID:19469536 "Europe PMC" xref: PMID:22153255 "Europe PMC" xref: PMID:22173419 "Europe PMC" xref: Reaxys:506007 "Reaxys" xref: Wikipedia:Acetic_acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_role CHEBI:48356 ! protic solvent relationship: has_role CHEBI:64049 ! food acidity regulator relationship: has_role CHEBI:65256 ! antimicrobial food preservative relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:30089 ! acetate relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:15379 name: dioxygen namespace: chebi_ontology alt_id: CHEBI:10745 alt_id: CHEBI:13416 alt_id: CHEBI:23833 alt_id: CHEBI:25366 alt_id: CHEBI:30491 alt_id: CHEBI:44742 alt_id: CHEBI:7860 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "31.990" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "31.99880" RELATED MASS [ChEBI] synonym: "[OO]" RELATED [MolBase] synonym: "dioxygen" EXACT IUPAC_NAME [IUPAC] synonym: "dioxygene" RELATED [ChEBI] synonym: "Disauerstoff" RELATED [ChEBI] synonym: "E 948" RELATED [ChEBI] synonym: "E-948" RELATED [ChEBI] synonym: "E948" RELATED [ChEBI] synonym: "InChI=1S/O2/c1-2" RELATED InChI [ChEBI] synonym: "molecular oxygen" RELATED [ChEBI] synonym: "MYMOFIZGZYHOMD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "O2" RELATED [UniProt] synonym: "O2" RELATED [IUPAC] synonym: "O2" RELATED [KEGG_COMPOUND] synonym: "O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "O=O" RELATED SMILES [ChEBI] synonym: "Oxygen" RELATED [KEGG_COMPOUND] synonym: "OXYGEN MOLECULE" RELATED [PDBeChem] xref: CAS:7782-44-7 "KEGG COMPOUND" xref: colombos:OXYGEN xref: Gmelin:485 "Gmelin" xref: HMDB:HMDB01377 xref: KEGG:C00007 xref: KEGG:D00003 xref: MetaCyc:OXYGEN-MOLECULE xref: MolBase:750 xref: PDBeChem:OXY xref: PMID:10906528 "Europe PMC" xref: PMID:16977326 "Europe PMC" xref: PMID:18210929 "Europe PMC" xref: PMID:18638417 "Europe PMC" xref: PMID:19840863 "Europe PMC" xref: PMID:7710549 "Europe PMC" xref: PMID:9463773 "Europe PMC" xref: Wikipedia:Oxygen is_a: CHEBI:25362 ! elemental molecule is_a: CHEBI:33263 ! diatomic oxygen relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:35472 ! anti-inflammatory drug relationship: has_role CHEBI:63248 ! oxidising agent relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:77974 ! food packaging gas relationship: is_conjugate_base_of CHEBI:29793 ! hydridodioxygen(1+) [Term] id: CHEBI:15414 name: S-adenosyl-L-methionine namespace: chebi_ontology alt_id: CHEBI:10786 alt_id: CHEBI:10833 alt_id: CHEBI:12742 alt_id: CHEBI:12757 alt_id: CHEBI:12760 alt_id: CHEBI:22036 alt_id: CHEBI:45607 alt_id: CHEBI:527887 alt_id: CHEBI:8946 def: "A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine." [] subset: 3_STAR synonym: "(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt" RELATED [ChemIDplus] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "399.145" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "399.44500" RELATED MASS [ChEBI] synonym: "[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium" EXACT IUPAC_NAME [IUPAC] synonym: "[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium" RELATED [IUPAC] synonym: "Acylcarnitine" RELATED [KEGG_COMPOUND] synonym: "AdoMet" RELATED [JCBN] synonym: "C15H23N6O5S" RELATED FORMULA [ChEBI] synonym: "C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12" RELATED SMILES [ChEBI] synonym: "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1" RELATED InChI [ChEBI] synonym: "MEFKEPWMEQBLKI-AIRLBKTGSA-O" RELATED InChIKey [ChEBI] synonym: "S-(5'-deoxyadenosin-5'-yl)-L-methionine" RELATED [JCBN] synonym: "S-Adenosyl-L-methionine" EXACT [KEGG_COMPOUND] synonym: "S-adenosyl-L-methionine" EXACT [ChEBI] synonym: "S-Adenosylmethionine" RELATED [KEGG_COMPOUND] synonym: "S-adenosylmethionine" RELATED [ChEBI] synonym: "SAM" RELATED [JCBN] synonym: "SAMe" RELATED [ChemIDplus] xref: Beilstein:3576439 "Beilstein" xref: CAS:29908-03-0 "KEGG COMPOUND" xref: COMe:MOL000172 xref: DrugBank:DB00118 xref: HMDB:HMDB01185 xref: KEGG:C00019 xref: KNApSAcK:C00007347 xref: MetaCyc:S-ADENOSYLMETHIONINE xref: PMID:11017945 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: Reaxys:3919754 "Reaxys" xref: Wikipedia:S-Adenosyl_methionine is_a: CHEBI:26830 ! sulfonium compound relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite relationship: has_role CHEBI:23354 ! coenzyme relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:67040 ! S-adenosyl-L-methioninate relationship: is_tautomer_of CHEBI:59789 ! S-adenosyl-L-methionine zwitterion [Term] id: CHEBI:15422 name: ATP namespace: chebi_ontology alt_id: CHEBI:10789 alt_id: CHEBI:10841 alt_id: CHEBI:13236 alt_id: CHEBI:22249 alt_id: CHEBI:2359 alt_id: CHEBI:40938 def: "An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "506.996" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "507.18100" RELATED MASS [ChEBI] synonym: "adenosine 5'-(tetrahydrogen triphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "Adenosine 5'-triphosphate" RELATED [KEGG_COMPOUND] synonym: "Adenosine triphosphate" RELATED [ChemIDplus] synonym: "ADENOSINE-5'-TRIPHOSPHATE" RELATED [PDBeChem] synonym: "ATP" EXACT [KEGG_COMPOUND] synonym: "C10H16N5O13P3" RELATED FORMULA [KEGG_COMPOUND] synonym: "H4atp" RELATED [IUPAC] synonym: "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "ZKHQWZAMYRWXGA-KQYNXXCUSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:73010 "Beilstein" xref: CAS:56-65-5 "KEGG COMPOUND" xref: Drug_Central:91 "DrugCentral" xref: DrugBank:DB00171 xref: Gmelin:34857 "Gmelin" xref: HMDB:HMDB00538 xref: KEGG:C00002 xref: KEGG:D08646 xref: KNApSAcK:C00001491 xref: Patent:US3079379 xref: PDBeChem:ATP xref: Reaxys:73010 "Reaxys" xref: Wikipedia:Adenosine_triphosphate is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate is_a: CHEBI:37096 ! adenosine 5'-phosphate relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:57299 ! ATP(3-) [Term] id: CHEBI:15428 name: glycine namespace: chebi_ontology alt_id: CHEBI:10792 alt_id: CHEBI:14344 alt_id: CHEBI:24368 alt_id: CHEBI:42964 alt_id: CHEBI:5460 def: "The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "75.032" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "75.06664" RELATED MASS [ChEBI] synonym: "Aminoacetic acid" RELATED [KEGG_COMPOUND] synonym: "aminoacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Aminoessigsaeure" RELATED [ChEBI] synonym: "aminoethanoic acid" RELATED [ChEBI] synonym: "aminoethanoic acid" RELATED [JCBN] synonym: "C2H5NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "DHMQDGOQFOQNFH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "G" RELATED [ChEBI] synonym: "Gly" RELATED [KEGG_COMPOUND] synonym: "Glycin" RELATED [ChemIDplus] synonym: "GLYCINE" EXACT [PDBeChem] synonym: "Glycine" EXACT [KEGG_COMPOUND] synonym: "glycine" EXACT IUPAC_NAME [IUPAC] synonym: "Glycocoll" RELATED [ChemIDplus] synonym: "Glykokoll" RELATED [ChEBI] synonym: "Glyzin" RELATED [ChEBI] synonym: "H2N-CH2-COOH" RELATED [IUPAC] synonym: "Hgly" RELATED [IUPAC] synonym: "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" RELATED InChI [ChEBI] synonym: "Leimzucker" RELATED [ChemIDplus] synonym: "NCC(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:635782 "Beilstein" xref: CAS:56-40-6 "KEGG COMPOUND" xref: Drug_Central:1319 "DrugCentral" xref: DrugBank:DB00145 xref: ECMDB:ECMDB00123 xref: Gmelin:1808 "Gmelin" xref: HMDB:HMDB00123 xref: KEGG:C00037 xref: KEGG:D00011 xref: KNApSAcK:C00001361 xref: MetaCyc:GLY xref: PDBeChem:GLY xref: PMID:10930630 "Europe PMC" xref: PMID:11019925 "Europe PMC" xref: PMID:11174716 "Europe PMC" xref: PMID:11542461 "Europe PMC" xref: PMID:11806864 "Europe PMC" xref: PMID:12631515 "Europe PMC" xref: PMID:12754315 "Europe PMC" xref: PMID:12770151 "Europe PMC" xref: PMID:12921899 "Europe PMC" xref: PMID:15331688 "Europe PMC" xref: PMID:15388434 "Europe PMC" xref: PMID:15710237 "Europe PMC" xref: PMID:16105183 "Europe PMC" xref: PMID:16151895 "Europe PMC" xref: PMID:16214212 "Europe PMC" xref: PMID:16417482 "Europe PMC" xref: PMID:16444815 "Europe PMC" xref: PMID:16664855 "Europe PMC" xref: PMID:16901953 "Europe PMC" xref: PMID:16918424 "Europe PMC" xref: PMID:16986325 "Europe PMC" xref: PMID:16998855 "Europe PMC" xref: PMID:17154252 "Europe PMC" xref: PMID:17383967 "Europe PMC" xref: PMID:17582620 "Europe PMC" xref: PMID:17970719 "Europe PMC" xref: PMID:18079355 "Europe PMC" xref: PMID:18396796 "Europe PMC" xref: PMID:18440992 "Europe PMC" xref: PMID:18593588 "Europe PMC" xref: PMID:18816054 "Europe PMC" xref: PMID:18840508 "Europe PMC" xref: PMID:19028609 "Europe PMC" xref: PMID:19120667 "Europe PMC" xref: PMID:19449910 "Europe PMC" xref: PMID:19526731 "Europe PMC" xref: PMID:19544666 "Europe PMC" xref: PMID:19738917 "Europe PMC" xref: PMID:19916621 "Europe PMC" xref: PMID:19924257 "Europe PMC" xref: PMID:21751272 "Europe PMC" xref: PMID:22044190 "Europe PMC" xref: PMID:22079563 "Europe PMC" xref: PMID:22234938 "Europe PMC" xref: PMID:22264337 "Europe PMC" xref: PMID:22293292 "Europe PMC" xref: PMID:22401276 "Europe PMC" xref: PMID:22434786 "Europe PMC" xref: Reaxys:635782 "Reaxys" xref: Wikipedia:Glycine xref: YMDB:YMDB00016 is_a: CHEBI:26650 ! serine family amino acid relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:62868 ! hepatoprotective agent relationship: has_role CHEBI:64570 ! EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor relationship: has_role CHEBI:64571 ! NMDA receptor agonist relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32508 ! glycinate relationship: is_conjugate_base_of CHEBI:32507 ! glycinium relationship: is_tautomer_of CHEBI:57305 ! glycine zwitterion relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source relationship: MCO:0000858 MCO:0000865 ! sucrose 15% nitrogen source [Term] id: CHEBI:1549 name: 3-hydroxymonocarboxylic acid namespace: chebi_ontology subset: 2_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "3-Hydroxymonocarboxylic acid" EXACT [KEGG_COMPOUND] synonym: "89.024" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "89.070" RELATED MASS [KEGG_COMPOUND] synonym: "C3H5O3R" RELATED FORMULA [KEGG_COMPOUND] synonym: "OC([*])CC(O)=O" RELATED SMILES [ChEBI] xref: KEGG:C03834 is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:15537 name: phenylacetyl-CoA namespace: chebi_ontology alt_id: CHEBI:14780 alt_id: CHEBI:25980 alt_id: CHEBI:8086 def: "An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylacetic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}" EXACT IUPAC_NAME [IUPAC] synonym: "885.157" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "885.66804" RELATED MASS [ChEBI] synonym: "C29H42N7O17P3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1" RELATED SMILES [ChEBI] synonym: "Coenzyme A, S-(benzeneacetate)" RELATED [ChemIDplus] synonym: "InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1" RELATED InChI [ChEBI] synonym: "Phenylacetyl coenzyme A" RELATED [KEGG_COMPOUND] synonym: "Phenylacetyl-CoA" EXACT [KEGG_COMPOUND] synonym: "Phenylacetyl-coa" EXACT [ChemIDplus] synonym: "Phenylacetyl-coenzyme A" RELATED [ChemIDplus] synonym: "ZIGIFDRJFZYEEQ-CECATXLMSA-N" RELATED InChIKey [ChEBI] xref: CAS:7532-39-0 "ChemIDplus" xref: HMDB:HMDB06503 xref: KEGG:C00582 xref: KNApSAcK:C00007536 xref: PMID:11260461 "Europe PMC" xref: PMID:2009287 "Europe PMC" xref: PMID:2553650 "Europe PMC" xref: PMID:6142928 "Europe PMC" xref: PMID:666745 "Europe PMC" xref: PMID:6838224 "Europe PMC" xref: PMID:8352646 "Europe PMC" xref: PMID:9297469 "Europe PMC" xref: Reaxys:8399067 "Reaxys" is_a: CHEBI:17984 ! acyl-CoA relationship: has_functional_parent CHEBI:15351 ! acetyl-CoA relationship: has_functional_parent CHEBI:30745 ! phenylacetic acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:57390 ! phenylacetyl-CoA(4-) [Term] id: CHEBI:15570 name: D-alanine namespace: chebi_ontology alt_id: CHEBI:10840 alt_id: CHEBI:12899 alt_id: CHEBI:20893 alt_id: CHEBI:4087 alt_id: CHEBI:41756 alt_id: CHEBI:41798 alt_id: CHEBI:41848 alt_id: CHEBI:41877 def: "The D-enantiomer of alanine." [] subset: 3_STAR synonym: "(2R)-2-aminopropanoic acid" RELATED [IUPAC] synonym: "(R)-2-aminopropanoic acid" RELATED [ChEBI] synonym: "(R)-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "89.048" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "89.09322" RELATED MASS [ChEBI] synonym: "C3H7NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@@H](N)C(O)=O" RELATED SMILES [ChEBI] synonym: "D-2-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Ala" RELATED [KEGG_COMPOUND] synonym: "D-Alanin" RELATED [ChEBI] synonym: "D-Alanine" EXACT [KEGG_COMPOUND] synonym: "D-alanine" EXACT IUPAC_NAME [IUPAC] synonym: "D-alpha-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "D-alpha-aminopropionic acid" RELATED [ChEBI] synonym: "DAL" RELATED [PDBeChem] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "QNAYBMKLOCPYGJ-UWTATZPHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1720249 "Beilstein" xref: CAS:338-69-2 "KEGG COMPOUND" xref: DrugBank:DB01786 xref: ECMDB:ECMDB01310 xref: Gmelin:82157 "Gmelin" xref: HMDB:HMDB01310 xref: KEGG:C00133 xref: KNApSAcK:C00019654 xref: MetaCyc:D-ALANINE xref: PDBeChem:DAL xref: PMID:10977898 "Europe PMC" xref: PMID:1450921 "Europe PMC" xref: PMID:22005737 "Europe PMC" xref: PMID:22075031 "Europe PMC" xref: PMID:22123251 "Europe PMC" xref: PMID:22313760 "Europe PMC" xref: PMID:3275662 "Europe PMC" xref: Reaxys:1720249 "Reaxys" xref: YMDB:YMDB00993 is_a: CHEBI:16449 ! alanine is_a: CHEBI:16733 ! D-alpha-amino acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:77881 ! EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor relationship: is_conjugate_acid_of CHEBI:32435 ! D-alaninate relationship: is_conjugate_base_of CHEBI:32436 ! D-alaninium relationship: is_enantiomer_of CHEBI:16977 ! L-alanine relationship: is_tautomer_of CHEBI:57416 ! D-alanine zwitterion [Term] id: CHEBI:15588 name: (R)-malate(2-) namespace: chebi_ontology alt_id: CHEBI:11002 alt_id: CHEBI:18685 def: "An optically active form of malate having (R)-configuration." [] subset: 3_STAR synonym: "(2R)-2-hydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-malate" RELATED [UniProt] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "132.006" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.07156" RELATED MASS [ChEBI] synonym: "BJEPYKJPYRNKOW-UWTATZPHSA-L" RELATED InChIKey [ChEBI] synonym: "C4H4O5" RELATED FORMULA [ChEBI] synonym: "D-malate" RELATED [ChEBI] synonym: "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "O[C@H](CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] xref: KEGG:C00497 "ChEBI" xref: MetaCyc:CPD-660 is_a: CHEBI:15595 ! malate(2-) relationship: is_conjugate_base_of CHEBI:30796 ! (R)-malic acid relationship: is_enantiomer_of CHEBI:15589 ! (S)-malate(2-) [Term] id: CHEBI:15589 name: (S)-malate(2-) namespace: chebi_ontology alt_id: CHEBI:11066 alt_id: CHEBI:13140 alt_id: CHEBI:18784 def: "An optically active form of malate having (S)-configuration." [] subset: 3_STAR synonym: "(2S)-2-hydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-malate" RELATED [UniProt] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "132.006" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.07156" RELATED MASS [ChEBI] synonym: "BJEPYKJPYRNKOW-REOHCLBHSA-L" RELATED InChIKey [ChEBI] synonym: "C4H4O5" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-malate" RELATED [ChEBI] synonym: "O[C@@H](CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:4133558 "Beilstein" xref: KEGG:C00149 "ChEBI" xref: MetaCyc:MAL xref: Reaxys:4133558 "Reaxys" is_a: CHEBI:15595 ! malate(2-) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30797 ! (S)-malic acid relationship: is_enantiomer_of CHEBI:15588 ! (R)-malate(2-) [Term] id: CHEBI:15595 name: malate(2-) namespace: chebi_ontology alt_id: CHEBI:14556 alt_id: CHEBI:25114 def: "A C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "132.006" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.07156" RELATED MASS [ChEBI] synonym: "2-hydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "BJEPYKJPYRNKOW-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "C4H4O5" RELATED FORMULA [ChEBI] synonym: "hydroxybutanedioic acid, ion(2-)" RELATED [ChemIDplus] synonym: "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2" RELATED InChI [ChEBI] synonym: "mal" RELATED [IUPAC] synonym: "malate anion" RELATED [ChEBI] synonym: "malate dianion" RELATED [ChEBI] synonym: "OC(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:3664410 "Beilstein" xref: CAS:149-61-1 "ChemIDplus" xref: Gmelin:327305 "Gmelin" xref: KEGG:C00711 "ChEBI" xref: PMID:17190852 "Europe PMC" xref: Reaxys:3664410 "Reaxys" is_a: CHEBI:25115 ! malate is_a: CHEBI:61336 ! C4-dicarboxylate relationship: has_functional_parent CHEBI:30031 ! succinate(2-) relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:15671 name: L-tartaric acid namespace: chebi_ontology alt_id: CHEBI:18710 alt_id: CHEBI:358 alt_id: CHEBI:45866 subset: 3_STAR synonym: "(+)-(R,R)-tartaric acid" RELATED [ChemIDplus] synonym: "(+)-L-tartaric acid" RELATED [ChemIDplus] synonym: "(+)-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "(+)-tartaric acid" RELATED [IUPAC] synonym: "(+)-Weinsaeure" RELATED [ChEBI] synonym: "(2R,3R)-2,3-Dihydroxybernsteinsaeure" RELATED [ChemIDplus] synonym: "(2R,3R)-2,3-dihydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3R)-2,3-dihydroxysuccinic acid" RELATED [ChEBI] synonym: "(2R,3R)-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "(2R,3R)-tartaric acid" RELATED [IUPAC] synonym: "(R,R)-(+)-tartaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "(R,R)-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.016" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "150.08684" RELATED MASS [ChEBI] synonym: "C4H6O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "FEWJPZIEWOKRBE-JCYAYHJZSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1" RELATED InChI [ChEBI] synonym: "L(+)-TARTARIC ACID" RELATED [PDBeChem] synonym: "L-Tartaric acid" EXACT [KEGG_COMPOUND] synonym: "L-threaric acid" RELATED [IUPAC] synonym: "O[C@H]([C@@H](O)C(O)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "Rechtsweinsaeure" RELATED [ChEBI] synonym: "Weinsteinsaeure" RELATED [ChemIDplus] xref: Beilstein:1725147 "Beilstein" xref: Beilstein:4231301 "Beilstein" xref: CAS:526-83-0 "ChemIDplus" xref: CAS:87-69-4 "KEGG COMPOUND" xref: Drug_Central:2566 "DrugCentral" xref: Gmelin:82690 "Gmelin" xref: KEGG:C00898 xref: PDBeChem:TLA is_a: CHEBI:26849 ! tartaric acid relationship: is_conjugate_acid_of CHEBI:35398 ! L-tartrate(1-) relationship: is_enantiomer_of CHEBI:15672 ! D-tartaric acid [Term] id: CHEBI:15672 name: D-tartaric acid namespace: chebi_ontology alt_id: CHEBI:18806 alt_id: CHEBI:446 alt_id: CHEBI:45873 def: "The D-enantiomer of tartaric acid." [] subset: 3_STAR synonym: "(-)-(S,S)-tartaric acid" RELATED [ChemIDplus] synonym: "(-)-D-tartaric acid" RELATED [ChemIDplus] synonym: "(-)-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "(-)-tartaric acid" RELATED [IUPAC] synonym: "(-)-Weinsaeure" RELATED [ChEBI] synonym: "(2S,3S)-(-)-tartaric acid" RELATED [ChemIDplus] synonym: "(2S,3S)-2,3-dihydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2S,3S)-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "(2S,3S)-tartaric acid" RELATED [IUPAC] synonym: "(S,S)-(-)-tartaric acid" RELATED [ChemIDplus] synonym: "(S,S)-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.016" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "150.08684" RELATED MASS [ChEBI] synonym: "C4H6O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "D(-)-TARTARIC ACID" RELATED [PDBeChem] synonym: "D-(-)-tartaric acid" RELATED [ChemIDplus] synonym: "D-Tartaric acid" EXACT [KEGG_COMPOUND] synonym: "D-threaric acid" RELATED [IUPAC] synonym: "FEWJPZIEWOKRBE-LWMBPPNESA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1" RELATED InChI [ChEBI] synonym: "Linksweinsaeure" RELATED [ChEBI] synonym: "O[C@@H]([C@H](O)C(O)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1725145 "Beilstein" xref: Beilstein:4666810 "Beilstein" xref: CAS:147-71-7 "ChemIDplus" xref: DrugBank:DB01694 xref: Gmelin:50225 "Gmelin" xref: HMDB:HMDB29878 xref: KEGG:C02107 xref: MetaCyc:D-TARTRATE xref: PDBeChem:TAR xref: Reaxys:1725145 "Reaxys" is_a: CHEBI:26849 ! tartaric acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:35399 ! D-tartrate(1-) relationship: is_enantiomer_of CHEBI:15671 ! L-tartaric acid [Term] id: CHEBI:15673 name: meso-tartaric acid namespace: chebi_ontology alt_id: CHEBI:10599 alt_id: CHEBI:25206 alt_id: CHEBI:45680 def: "A 2,3-dihydroxybutanedioic acid that has meso configuration." [] subset: 3_STAR synonym: "(2R,3S)-2,3-dihydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3S)-2,3-dihydroxysuccinic acid" RELATED [ChEBI] synonym: "(2R,3S)-rel-2,3-dihydroxybutanedioic acid" RELATED [ChemIDplus] synonym: "(2R,3S)-tartaric acid" RELATED [IUPAC] synonym: "(R*,S*)-2,3-dihydroxybutanedioic acid" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.016" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "150.08684" RELATED MASS [ChEBI] synonym: "C4H6O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "erythraric acid" RELATED [IUPAC] synonym: "FEWJPZIEWOKRBE-XIXRPRMCSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+" RELATED InChI [ChEBI] synonym: "internally compensated tartaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "m-tartaric acid" RELATED [ChEBI] synonym: "meso-Tartaric acid" EXACT [KEGG_COMPOUND] synonym: "meso-tartaric acid" EXACT [IUPAC] synonym: "meso-tartaric acid" EXACT [UniProt] synonym: "mesotartaric acid" RELATED [ChemIDplus] synonym: "Mesoweinsaeure" RELATED [ChEBI] synonym: "O[C@@H]([C@@H](O)C(O)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "S,R MESO-TARTARIC ACID" RELATED [PDBeChem] synonym: "unresolvable tartaric acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1725146 "Beilstein" xref: Beilstein:4666811 "Beilstein" xref: CAS:147-73-9 "KEGG COMPOUND" xref: Gmelin:3214 "Gmelin" xref: KEGG:C00552 xref: PDBeChem:SRT is_a: CHEBI:15674 ! 2,3-dihydroxybutanedioic acid relationship: is_conjugate_acid_of CHEBI:35400 ! meso-tartrate(1-) [Term] id: CHEBI:15674 name: 2,3-dihydroxybutanedioic acid namespace: chebi_ontology alt_id: CHEBI:9404 def: "A tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3." [] subset: 3_STAR synonym: "(+)-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "(2R,3R)-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "(R,R)-Tartrate" RELATED [KEGG_COMPOUND] synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.016" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "150.08684" RELATED MASS [ChEBI] synonym: "2,3-dihydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2,3-dihydroxysuccinic acid" RELATED [ChEBI] synonym: "C4H6O6" RELATED FORMULA [ChEBI] synonym: "FEWJPZIEWOKRBE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)" RELATED InChI [ChEBI] synonym: "L-Tartaric acid" RELATED [KEGG_COMPOUND] synonym: "OC(C(O)C(O)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "Tartaric acid" RELATED [KEGG_COMPOUND] xref: CAS:87-69-4 "KEGG COMPOUND" xref: Gmelin:27021 "Gmelin" xref: KEGG:C00898 xref: KEGG:D00103 xref: KNApSAcK:C00001206 xref: Reaxys:510169 "Reaxys" xref: Wikipedia:Tartaric_Acid is_a: CHEBI:26933 ! tetraric acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:48929 ! 3-carboxy-2,3-dihydroxypropanoate [Term] id: CHEBI:15676 name: allantoin namespace: chebi_ontology alt_id: CHEBI:13761 alt_id: CHEBI:22354 alt_id: CHEBI:2594 def: "An imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen." [] subset: 3_STAR synonym: "(2,5-Dioxo-4-imidazolidinyl)urea" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "158.044" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "158.11560" RELATED MASS [ChEBI] synonym: "2,5-Dioxo-4-imidazolidinyl-urea" RELATED [NIST_Chemistry_WebBook] synonym: "4-ureido-2,5-imidazolidinedione" RELATED [HMDB] synonym: "5-Ureido-2,4-imidazolidindione" RELATED [ChemIDplus] synonym: "5-Ureidohydantoin" RELATED [KEGG_COMPOUND] synonym: "Allantoin" EXACT [KEGG_COMPOUND] synonym: "allantoin" EXACT [UniProt] synonym: "C4H6N4O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "Glyoxyldiureide" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)" RELATED InChI [ChEBI] synonym: "N-(2,5-Dioxo-4-imidazolidinyl)urea" RELATED [HMDB] synonym: "N-(2,5-dioxoimidazolidin-4-yl)urea" EXACT IUPAC_NAME [IUPAC] synonym: "NC(=O)NC1NC(=O)NC1=O" RELATED SMILES [ChEBI] synonym: "POJWUDADGALRAB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:97-59-6 "KEGG COMPOUND" xref: Drug_Central:4268 "DrugCentral" xref: HMDB:HMDB00462 xref: KEGG:C01551 xref: KEGG:D00121 xref: KNApSAcK:C00007468 xref: LINCS:LSM-5190 xref: MetaCyc:ALLANTOIN xref: Patent:US2158098 xref: PMID:11157020 "Europe PMC" xref: PMID:14619112 "Europe PMC" xref: PMID:17190852 "Europe PMC" xref: Reaxys:83514 "Reaxys" xref: Wikipedia:Allantoin is_a: CHEBI:24628 ! imidazolidine-2,4-dione is_a: CHEBI:47857 ! ureas relationship: has_functional_parent CHEBI:27612 ! hydantoin relationship: has_role CHEBI:73336 ! vulnerary relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_tautomer_of CHEBI:74345 ! 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea [Term] id: CHEBI:15693 name: aldose namespace: chebi_ontology alt_id: CHEBI:13755 alt_id: CHEBI:22305 alt_id: CHEBI:2561 def: "Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "90.07790" RELATED MASS [ChEBI] synonym: "Aldose" EXACT [KEGG_COMPOUND] synonym: "aldoses" RELATED [ChEBI] synonym: "an aldose" RELATED [UniProt] synonym: "C2H4O2(CH2O)n" RELATED FORMULA [ChEBI] xref: KEGG:C01370 xref: Wikipedia:Aldose is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:15705 name: L-alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:13072 alt_id: CHEBI:13243 alt_id: CHEBI:13797 alt_id: CHEBI:21224 alt_id: CHEBI:6175 def: "Any alpha-amino acid having L-configuration at the alpha-carbon." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "74.05870" RELATED MASS [ChEBI] synonym: "C2H4NO2R" RELATED FORMULA [ChEBI] synonym: "L-2-Amino acid" RELATED [KEGG_COMPOUND] synonym: "L-alpha-amino acid" EXACT [IUPAC] synonym: "L-alpha-amino acids" EXACT IUPAC_NAME [IUPAC] synonym: "L-alpha-amino acids" RELATED [ChEBI] synonym: "L-Amino acid" RELATED [KEGG_COMPOUND] synonym: "N[C@@H]([*])C(O)=O" RELATED SMILES [ChEBI] xref: KEGG:C00151 is_a: CHEBI:33704 ! alpha-amino acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:59814 ! L-alpha-amino acid anion relationship: is_tautomer_of CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] id: CHEBI:15713 name: UTP namespace: chebi_ontology alt_id: CHEBI:13510 alt_id: CHEBI:27233 alt_id: CHEBI:9850 def: "A pyrimidine ribonucleoside 5'-triphosphate having uracil as the nucleobase." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "483.969" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "484.14116" RELATED MASS [ChEBI] synonym: "5'-UTP" RELATED [ChemIDplus] synonym: "C9H15N2O15P3" RELATED FORMULA [KEGG_COMPOUND] synonym: "H4utp" RELATED [ChEBI] synonym: "InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" RELATED SMILES [ChEBI] synonym: "PGAVKCOVUIYSFO-XVFCMESISA-N" RELATED InChIKey [ChEBI] synonym: "uridine 5'-(tetrahydrogen triphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "Uridine 5'-triphosphate" RELATED [KEGG_COMPOUND] synonym: "uridine 5'-triphosphoric acid" RELATED [ChemIDplus] synonym: "Uridine triphosphate" RELATED [KEGG_COMPOUND] synonym: "UTP" EXACT [KEGG_COMPOUND] xref: Beilstein:71520 "Beilstein" xref: CAS:63-39-8 "KEGG COMPOUND" xref: Drug_Central:3639 "DrugCentral" xref: DrugBank:DB04005 xref: Gmelin:307896 "Gmelin" xref: KEGG:C00075 xref: PDBeChem:UTP is_a: CHEBI:27232 ! uridine 5'-phosphate is_a: CHEBI:37044 ! pyrimidine ribonucleoside 5'-triphosphate relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:46398 ! UTP(4-) relationship: is_conjugate_acid_of CHEBI:57481 ! UTP(3-) [Term] id: CHEBI:15724 name: trimethylamine N-oxide namespace: chebi_ontology alt_id: CHEBI:15262 alt_id: CHEBI:15263 alt_id: CHEBI:27126 alt_id: CHEBI:9733 def: "A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine." [] subset: 3_STAR synonym: "(CH3)3NO" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "75.068" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "75.110" RELATED MASS [ChEBI] synonym: "C3H9NO" RELATED FORMULA [ChEBI] synonym: "C[N+](C)([O-])C" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3" RELATED InChI [ChEBI] synonym: "Me3N(+)O(-)" RELATED [ChEBI] synonym: "Me3N(O)" RELATED [ChEBI] synonym: "N(CH3)3O" RELATED [ChEBI] synonym: "N,N-dimethylmethanamine oxide" EXACT IUPAC_NAME [IUPAC] synonym: "TMAO" RELATED [NIST_Chemistry_WebBook] synonym: "Trimethylamine N-oxide" EXACT [KEGG_COMPOUND] synonym: "trimethylamine N-oxide" EXACT [UniProt] synonym: "trimethylamine oxide" RELATED [NIST_Chemistry_WebBook] synonym: "Trimethylaminoxid" RELATED [ChEBI] synonym: "trimethyloxamine" RELATED [ChemIDplus] synonym: "UYPYRKYUKCHHIB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1734787 "Beilstein" xref: CAS:1184-78-7 "ChemIDplus" xref: Gmelin:1839 "Gmelin" xref: HMDB:HMDB00925 xref: KEGG:C01104 xref: MetaCyc:TRIMENTHLAMINE-N-O xref: PDBeChem:TMO xref: PMID:12683801 "Europe PMC" xref: PMID:1453985 "Europe PMC" xref: PMID:17697669 "Europe PMC" xref: PMID:19425246 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:3170512 "Europe PMC" xref: PMID:3674879 "Europe PMC" xref: Reaxys:1734787 "Reaxys" xref: Wikipedia:Trimethylamine_oxide is_a: CHEBI:134363 ! tertiary amine oxide relationship: has_functional_parent CHEBI:18139 ! trimethylamine relationship: has_role CHEBI:25728 ! osmolyte relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:15734 name: primary alcohol namespace: chebi_ontology alt_id: CHEBI:13676 alt_id: CHEBI:14887 alt_id: CHEBI:26262 alt_id: CHEBI:57489 alt_id: CHEBI:8406 def: "A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-Alcohol" RELATED [KEGG_COMPOUND] synonym: "31.018" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "31.03390" RELATED MASS [ChEBI] synonym: "[H]C([H])(O)[*]" RELATED SMILES [ChEBI] synonym: "a primary alcohol" RELATED [UniProt] synonym: "CH3OR" RELATED FORMULA [ChEBI] synonym: "Primary alcohol" EXACT [KEGG_COMPOUND] synonym: "primary alcohols" RELATED [ChEBI] xref: KEGG:C00226 is_a: CHEBI:30879 ! alcohol [Term] id: CHEBI:15740 name: formate namespace: chebi_ontology alt_id: CHEBI:14276 alt_id: CHEBI:24081 def: "A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "44.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "45.01744" RELATED MASS [ChEBI] synonym: "[H]C([O-])=O" RELATED SMILES [ChEBI] synonym: "aminate" RELATED [ChEBI] synonym: "BDAGIHXWWSANSR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "CHO2" RELATED FORMULA [ChEBI] synonym: "formate" EXACT IUPAC_NAME [IUPAC] synonym: "formate" EXACT [UniProt] synonym: "formiate" RELATED [ChEBI] synonym: "formic acid, ion(1-)" RELATED [ChemIDplus] synonym: "formylate" RELATED [ChEBI] synonym: "HCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen carboxylate" RELATED [ChEBI] synonym: "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1" RELATED InChI [ChEBI] synonym: "methanoate" RELATED [ChEBI] xref: Beilstein:1901205 "Beilstein" xref: CAS:71-47-6 "NIST Chemistry WebBook" xref: colombos:FORMATE xref: Gmelin:1006 "Gmelin" xref: HMDB:HMDB00142 xref: KEGG:C00058 xref: MetaCyc:FORMATE xref: PMID:17190852 "Europe PMC" xref: PMID:3946945 "Europe PMC" xref: Reaxys:1901205 "Reaxys" xref: UM-BBD_compID:c0106 "ChEBI" xref: Wikipedia:Formate is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30751 ! formic acid [Term] id: CHEBI:15741 name: succinic acid namespace: chebi_ontology alt_id: CHEBI:22943 alt_id: CHEBI:26807 alt_id: CHEBI:45639 alt_id: CHEBI:9304 def: "An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,2-ethanedicarboxylic acid" RELATED [ChemIDplus] synonym: "118.027" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "118.08800" RELATED MASS [ChEBI] synonym: "acide butanedioique" RELATED [ChEBI] synonym: "acide succinique" RELATED [ChEBI] synonym: "acidum succinicum" RELATED [ChemIDplus] synonym: "amber acid" RELATED [NIST_Chemistry_WebBook] synonym: "asuccin" RELATED [NIST_Chemistry_WebBook] synonym: "Bernsteinsaeure" RELATED [ChEBI] synonym: "Butandisaeure" RELATED [ChemIDplus] synonym: "butanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Butanedionic acid" RELATED [KEGG_COMPOUND] synonym: "C4H6O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "Dihydrofumaric acid" RELATED [HMDB] synonym: "E363" RELATED [ChEBI] synonym: "Ethylenesuccinic acid" RELATED [KEGG_COMPOUND] synonym: "HOOC-CH2-CH2-COOH" RELATED [IUPAC] synonym: "InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)" RELATED InChI [ChEBI] synonym: "KDYFGRWQOYBRFD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "OC(=O)CCC(O)=O" RELATED SMILES [ChEBI] synonym: "spirit of amber" RELATED [ChEBI] synonym: "SUCCINIC ACID" EXACT [PDBeChem] synonym: "Succinic acid" EXACT [KEGG_COMPOUND] synonym: "succinic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1754069 "Beilstein" xref: CAS:110-15-6 "KEGG COMPOUND" xref: Drug_Central:2487 "DrugCentral" xref: DrugBank:DB00139 xref: ECMDB:ECMDB00254 xref: Gmelin:2785 "Gmelin" xref: HMDB:HMDB00254 xref: KEGG:C00042 xref: KNApSAcK:C00001205 xref: LIPID_MAPS_instance:LMFA01170043 "LIPID MAPS" xref: MetaCyc:SUC xref: PDBeChem:SIN xref: PMID:17439666 "Europe PMC" xref: Reaxys:1754069 "Reaxys" xref: Wikipedia:Succinic_acid xref: YMDB:YMDB00338 is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid is_a: CHEBI:66873 ! C4-dicarboxylic acid relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:49201 ! anti-ulcer drug relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:66987 ! radiation protective agent relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:30779 ! succinate(1-) [Term] id: CHEBI:15760 name: tyramine namespace: chebi_ontology alt_id: CHEBI:15276 alt_id: CHEBI:27174 alt_id: CHEBI:9799 def: "A primary amino compound obtained by formal decarboxylation of the amino acid tyrosine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "137.084" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "137.17900" RELATED MASS [ChEBI] synonym: "2-(p-Hydroxyphenyl)ethylamine" RELATED [KEGG_COMPOUND] synonym: "4-(2-aminoethyl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "4-Hydroxy-beta-phenylethylamine" RELATED [HMDB] synonym: "4-hydroxyphenethylamine" RELATED [ChEBI] synonym: "4-Hydroxyphenylethylamine" RELATED [HMDB] synonym: "beta-(4-Hydroxyphenyl)ethylamine" RELATED [HMDB] synonym: "C8H11NO" RELATED FORMULA [KEGG_COMPOUND] synonym: "DZGWFCGJZKJUFP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2" RELATED InChI [ChEBI] synonym: "NCCc1ccc(O)cc1" RELATED SMILES [ChEBI] synonym: "p-(2-Aminoethyl)phenol" RELATED [HMDB] synonym: "p-(2-aminoethyl)phenol" RELATED [ChEBI] synonym: "p-hydroxyphenethylamine" RELATED [HMDB] synonym: "p-hydroxyphenylethylamine" RELATED [HMDB] synonym: "p-tyramine" RELATED [HMDB] synonym: "Tyramin" RELATED [ChemIDplus] synonym: "Tyramine" EXACT [KEGG_COMPOUND] xref: Beilstein:1099914 "ChemIDplus" xref: CAS:51-67-2 "ChemIDplus" xref: Drug_Central:2784 "DrugCentral" xref: Gmelin:82946 "Gmelin" xref: HMDB:HMDB00306 xref: KEGG:C00483 xref: KNApSAcK:C00001435 xref: LINCS:LSM-19016 xref: MetaCyc:TYRAMINE xref: PDBeChem:AEF xref: PMID:11919655 "Europe PMC" xref: PMID:12183041 "Europe PMC" xref: PMID:12811595 "Europe PMC" xref: PMID:15000446 "Europe PMC" xref: PMID:15848803 "Europe PMC" xref: PMID:18422653 "Europe PMC" xref: PMID:18970430 "Europe PMC" xref: PMID:19137318 "Europe PMC" xref: PMID:19189084 "Europe PMC" xref: PMID:21570963 "Europe PMC" xref: PMID:21628600 "Europe PMC" xref: PMID:21651557 "Europe PMC" xref: PMID:21679153 "Europe PMC" xref: PMID:21850574 "Europe PMC" xref: PMID:21909937 "Europe PMC" xref: PMID:22735334 "Europe PMC" xref: PMID:3137238 "Europe PMC" xref: Reaxys:1099914 "Reaxys" xref: Wikipedia:Tyramine is_a: CHEBI:25375 ! monoamine molecular messenger is_a: CHEBI:27175 ! tyramines is_a: CHEBI:50994 ! primary amino compound relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:327995 ! tyraminium [Term] id: CHEBI:15778 name: N-acyl-D-amino acid namespace: chebi_ontology alt_id: CHEBI:12474 alt_id: CHEBI:21631 alt_id: CHEBI:7224 def: "Any N-acyl-amino acid in which the amino acid moiety has D configuration." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "101.011" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "101.06080" RELATED MASS [ChEBI] synonym: "C3H3NO3R2" RELATED FORMULA [ChEBI] synonym: "OC(=O)[C@@H]([*])NC([*])=O" RELATED SMILES [ChEBI] is_a: CHEBI:51569 ! N-acyl-amino acid is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: is_conjugate_acid_of CHEBI:59876 ! N-acyl-D-alpha-amino acid anion relationship: is_enantiomer_of CHEBI:21644 ! N-acyl-L-amino acid [Term] id: CHEBI:15784 name: N-acetyl-D-glucosamine 6-phosphate namespace: chebi_ontology alt_id: CHEBI:12456 alt_id: CHEBI:12564 alt_id: CHEBI:21521 alt_id: CHEBI:7127 def: "An N-acyl-D-glucosamine 6-phosphate that is the N-acetyl derivative of D-glucosamine 6-phosphate. It is a component of the aminosugar metabolism." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-acetamido-2-deoxy-6-O-phosphono-D-glucopyranose" RELATED [ChEBI] synonym: "2-acetamido-2-deoxy-D-glucopyranose 6-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "301.056" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "301.18774" RELATED MASS [ChEBI] synonym: "BRGMHAYQAZFZDJ-RTRLPJTCSA-N" RELATED InChIKey [ChEBI] synonym: "C8H16NO9P" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1" RELATED InChI [ChEBI] synonym: "N-Acetyl-D-glucosamine 6-phosphate" EXACT [KEGG_COMPOUND] synonym: "N-acetyl-D-glucosamine 6-phosphate" EXACT [ChEBI] xref: DrugBank:DB03951 xref: HMDB:HMDB01062 xref: KEGG:C00357 xref: KNApSAcK:C00019661 xref: PMID:17077487 "Europe PMC" xref: PMID:8125098 "Europe PMC" xref: PMID:8747459 "Europe PMC" xref: Reaxys:2337906 "Reaxys" is_a: CHEBI:15993 ! N-acyl-D-glucosamine 6-phosphate relationship: has_functional_parent CHEBI:17315 ! D-glucosamine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:57513 ! N-acetyl-D-glucosamine 6-phosphate(2-) [Term] id: CHEBI:15816 name: D-arginine namespace: chebi_ontology alt_id: CHEBI:12917 alt_id: CHEBI:20917 alt_id: CHEBI:4106 alt_id: CHEBI:41855 def: "A D-alpha-amino acid that is the D-isomer of arginine." [] subset: 3_STAR synonym: "(2R)-2-amino-5-(carbamimidamido)pentanoic acid" RELATED [IUPAC] synonym: "(2R)-2-amino-5-guanidinopentanoic acid" RELATED [JCBN] synonym: "(R)-2-amino-5-guanidinopentanoic acid" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "174.112" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "174.20100" RELATED MASS [ChEBI] synonym: "C6H14N4O2" RELATED FORMULA [ChEBI] synonym: "D-2-Amino-5-guanidinovaleric acid" RELATED [KEGG_COMPOUND] synonym: "D-Arginin" RELATED [ChEBI] synonym: "D-Arginine" EXACT [KEGG_COMPOUND] synonym: "D-arginine" EXACT IUPAC_NAME [IUPAC] synonym: "DAR" RELATED [PDBeChem] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](CCCNC(N)=N)C(O)=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-SCSAIBSYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1725412 "Beilstein" xref: CAS:157-06-2 "KEGG COMPOUND" xref: DrugBank:DB04027 xref: Gmelin:364938 "Gmelin" xref: HMDB:HMDB03416 xref: KEGG:C00792 xref: MetaCyc:CPD-220 xref: PDBeChem:DAR xref: PMID:15540275 "Europe PMC" xref: PMID:15723827 "Europe PMC" xref: PMID:16912865 "Europe PMC" xref: PMID:19651461 "Europe PMC" xref: PMID:22518022 "Europe PMC" xref: Reaxys:1725412 "Reaxys" is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:29016 ! arginine relationship: has_role CHEBI:65053 ! EC 4.1.1.19 (arginine decarboxylase) inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:32688 ! D-argininate relationship: is_conjugate_base_of CHEBI:32689 ! D-argininium(1+) relationship: is_enantiomer_of CHEBI:16467 ! L-arginine [Term] id: CHEBI:15824 name: D-fructose namespace: chebi_ontology alt_id: CHEBI:12923 alt_id: CHEBI:20929 alt_id: CHEBI:4118 def: "Fructose is a levorotatory monosaccharide and an isomer of glucose. Although fructose is a hexose (6 carbon sugar), it generally exists as a 5-member hemiketal ring (a furanose)." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "180.15588" RELATED MASS [ChEBI] synonym: "C6H12O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-arabino-hex-2-ulose" EXACT IUPAC_NAME [IUPAC] synonym: "D-arabino-Hexulose" RELATED [KEGG_COMPOUND] synonym: "D-Fru" RELATED [JCBN] synonym: "D-fructose" EXACT IUPAC_NAME [IUPAC] synonym: "D-laevulose" RELATED [ChEBI] synonym: "Fruit sugar" RELATED [KEGG_COMPOUND] synonym: "Laevulose" RELATED [ChEBI] synonym: "Levulose" RELATED [KEGG_COMPOUND] xref: CAS:57-48-7 "KEGG COMPOUND" xref: HMDB:HMDB00660 xref: KEGG:C00095 xref: MetaCyc:FRU xref: PDBeChem:FRU xref: PMID:22735334 "Europe PMC" is_a: CHEBI:28757 ! fructose relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] id: CHEBI:15858 name: bromide namespace: chebi_ontology alt_id: CHEBI:13918 alt_id: CHEBI:3178 alt_id: CHEBI:49515 subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "78.918" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "79.90400" RELATED MASS [ChEBI] synonym: "[Br-]" RELATED SMILES [ChEBI] synonym: "Br" RELATED FORMULA [KEGG_COMPOUND] synonym: "Br(-)" RELATED [IUPAC] synonym: "Br-" RELATED [KEGG_COMPOUND] synonym: "Bromide" EXACT [KEGG_COMPOUND] synonym: "bromide" EXACT [UniProt] synonym: "bromide" EXACT IUPAC_NAME [IUPAC] synonym: "BROMIDE ION" RELATED [PDBeChem] synonym: "bromide(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "bromine anion" RELATED [NIST_Chemistry_WebBook] synonym: "CPELXLSAUQHCOX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/BrH/h1H/p-1" RELATED InChI [ChEBI] xref: Beilstein:3587179 "Beilstein" xref: CAS:24959-67-9 "KEGG COMPOUND" xref: Gmelin:14908 "Gmelin" xref: KEGG:C00720 xref: KEGG:C01324 xref: PDBeChem:BR is_a: CHEBI:16042 ! halide anion is_a: CHEBI:36896 ! monoatomic bromine relationship: is_conjugate_base_of CHEBI:47266 ! hydrogen bromide [Term] id: CHEBI:15904 name: long-chain fatty acid namespace: chebi_ontology alt_id: CHEBI:13655 alt_id: CHEBI:14529 alt_id: CHEBI:25075 alt_id: CHEBI:6528 def: "A fatty acid with a chain length ranging from C13 to C22." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "44.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "CHO2R" RELATED FORMULA [ChEBI] synonym: "Higher fatty acid" RELATED [KEGG_COMPOUND] synonym: "LCFA" RELATED [ChEBI] synonym: "LCFAs" RELATED [ChEBI] synonym: "Long-chain fatty acid" EXACT [KEGG_COMPOUND] synonym: "long-chain fatty acids" RELATED [ChEBI] synonym: "OC([*])=O" RELATED SMILES [ChEBI] xref: KEGG:C00638 is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:57560 ! long-chain fatty acid anion [Term] id: CHEBI:15956 name: biotin namespace: chebi_ontology alt_id: CHEBI:13905 alt_id: CHEBI:22882 alt_id: CHEBI:22884 alt_id: CHEBI:3108 alt_id: CHEBI:41236 def: "An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins." [] subset: 3_STAR synonym: "(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid" RELATED [HMDB] synonym: "(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid" RELATED [HMDB] synonym: "0" RELATED CHARGE [ChEBI] synonym: "244.088" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "244.31172" RELATED MASS [ChEBI] synonym: "5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid" RELATED [HMDB] synonym: "5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2" RELATED SMILES [ChEBI] synonym: "BIOTIN" EXACT [PDBeChem] synonym: "Biotin" EXACT [KEGG_COMPOUND] synonym: "biotina" RELATED INN [ChemIDplus] synonym: "biotine" RELATED INN [ChemIDplus] synonym: "biotinum" RELATED INN [ChemIDplus] synonym: "C10H16N2O3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid" RELATED [HMDB] synonym: "cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid" RELATED [HMDB] synonym: "cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid" RELATED [HMDB] synonym: "Coenzyme R" RELATED [KEGG_COMPOUND] synonym: "D-(+)-biotin" RELATED [NIST_Chemistry_WebBook] synonym: "D-Biotin" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1" RELATED InChI [ChEBI] synonym: "vitamin B7" RELATED [NIST_Chemistry_WebBook] synonym: "Vitamin H" RELATED [KEGG_COMPOUND] synonym: "YBJHBAHKTGYVGT-ZKWXMUAHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:86838 "Beilstein" xref: CAS:58-85-5 "NIST Chemistry WebBook" xref: COMe:MOL000144 xref: Drug_Central:373 "DrugCentral" xref: DrugBank:DB00121 xref: Gmelin:1918703 "Gmelin" xref: HMDB:HMDB00030 xref: KEGG:C00120 xref: KEGG:D00029 xref: KNApSAcK:C00000756 xref: LINCS:LSM-3994 xref: MetaCyc:BIOTIN xref: PDBeChem:BTN xref: PMID:11435506 "Europe PMC" xref: PMID:11800048 "Europe PMC" xref: PMID:12055344 "Europe PMC" xref: PMID:12803839 "Europe PMC" xref: PMID:15012185 "Europe PMC" xref: PMID:15202718 "Europe PMC" xref: PMID:15272000 "Europe PMC" xref: PMID:15899401 "Europe PMC" xref: PMID:16419467 "Europe PMC" xref: PMID:16676358 "Europe PMC" xref: PMID:16677798 "Europe PMC" xref: PMID:16769720 "Europe PMC" xref: PMID:17297119 "Europe PMC" xref: PMID:18452485 "Europe PMC" xref: PMID:18509457 "Europe PMC" xref: PMID:19319844 "Europe PMC" xref: PMID:19727438 "Europe PMC" xref: PMID:19928962 "Europe PMC" xref: PMID:20967359 "Europe PMC" xref: PMID:20974274 "Europe PMC" xref: PMID:21248194 "Europe PMC" xref: PMID:21356565 "Europe PMC" xref: PMID:21373679 "Europe PMC" xref: PMID:21596550 "Europe PMC" xref: PMID:21871906 "Europe PMC" xref: PMID:25515858 "Europe PMC" xref: Reaxys:86838 "Reaxys" xref: Wikipedia:Biotin is_a: CHEBI:51570 ! biotins relationship: has_role CHEBI:23354 ! coenzyme relationship: has_role CHEBI:26348 ! prosthetic group relationship: has_role CHEBI:75769 ! B vitamin relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:57586 ! biotinate [Term] id: CHEBI:15965 name: D-hexose phosphate namespace: chebi_ontology alt_id: CHEBI:12992 alt_id: CHEBI:4196 def: "Any mono-phosphorylated D-hexose having a chain of six carbon atoms in the molecule." [] subset: 3_STAR synonym: "D-Hexose phosphate" EXACT [KEGG_COMPOUND] synonym: "D-hexose phosphate" EXACT [UniProt] xref: KEGG:C02672 is_a: CHEBI:47878 ! hexose phosphate [Term] id: CHEBI:15978 name: sn-glycerol 3-phosphate namespace: chebi_ontology alt_id: CHEBI:10648 alt_id: CHEBI:12843 alt_id: CHEBI:12848 alt_id: CHEBI:26705 alt_id: CHEBI:42793 def: "An sn-glycerol 3-phosphate having unsubstituted hydroxy groups." [] subset: 3_STAR synonym: "(2R)-2,3-dihydroxypropyl dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-glycerol 1-phosphate" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "172.014" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "172.07372" RELATED MASS [ChEBI] synonym: "AWUCVROLDVIAJX-GSVOUGTGSA-N" RELATED InChIKey [ChEBI] synonym: "C3H9O6P" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-(glycerol 1-phosphate)" RELATED [CBN] synonym: "D-Glycerol 1-phosphate" RELATED [KEGG_COMPOUND] synonym: "Glycerol-3-phosphate" RELATED [KEGG_COMPOUND] synonym: "Glycerophosphoric acid" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1" RELATED InChI [ChEBI] synonym: "L-(glycerol 3-phosphate)" RELATED [CBN] synonym: "OC[C@@H](O)COP(O)(O)=O" RELATED SMILES [ChEBI] synonym: "phosphoric acid mono-((R)-2,3-dihydroxy-propyl) ester" RELATED [ChEBI] synonym: "Phosphorsaeure-mono-((R)-2,3-dihydroxy-propylester)" RELATED [ChEBI] synonym: "sn-glycerol 3-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "sn-Glycerol 3-phosphate" EXACT [KEGG_COMPOUND] synonym: "SN-GLYCEROL-3-PHOSPHATE" RELATED [PDBeChem] synonym: "sn-Gro-1-P" RELATED [KEGG_COMPOUND] xref: Beilstein:1723975 "Beilstein" xref: CAS:17989-41-2 "KEGG COMPOUND" xref: KEGG:C00093 xref: KNApSAcK:C00007288 xref: MetaCyc:GLYCEROL-3P xref: PDBeChem:G3P xref: PDBeChem:GP9 xref: PMID:16745347 "Europe PMC" xref: PMID:1694860 "Europe PMC" xref: PMID:19049970 "Europe PMC" xref: Reaxys:1723975 "Reaxys" is_a: CHEBI:14336 ! glycerol 1-phosphate is_a: CHEBI:26706 ! sn-glycerol 3-phosphates relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:57597 ! sn-glycerol 3-phosphate(2-) relationship: is_enantiomer_of CHEBI:16221 ! sn-glycerol 1-phosphate [Term] id: CHEBI:15993 name: N-acyl-D-glucosamine 6-phosphate namespace: chebi_ontology alt_id: CHEBI:12477 alt_id: CHEBI:21636 alt_id: CHEBI:7227 def: "An N-acyl-D-glucosamine phosphate having the phosphate group placed at the 6-position." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "286.033" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "286.15320" RELATED MASS [ChEBI] synonym: "C7H13NO9PR" RELATED FORMULA [ChEBI] synonym: "N-Acyl-D-glucosamine 6-phosphate" EXACT [KEGG_COMPOUND] synonym: "N-acyl-D-glucosamine 6-phosphates" RELATED [ChEBI] synonym: "O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1NC([*])=O" RELATED SMILES [ChEBI] xref: KEGG:C04136 is_a: CHEBI:21637 ! N-acyl-D-glucosamine phosphate relationship: is_conjugate_acid_of CHEBI:57599 ! N-acyl-D-glucosamine 6-phosphate(2-) [Term] id: CHEBI:15996 name: GTP namespace: chebi_ontology alt_id: CHEBI:13342 alt_id: CHEBI:24451 alt_id: CHEBI:42934 alt_id: CHEBI:5234 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "5'-GTP" RELATED [ChemIDplus] synonym: "522.991" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "523.18062" RELATED MASS [ChEBI] synonym: "C10H16N5O14P3" RELATED FORMULA [KEGG_COMPOUND] synonym: "GTP" EXACT [KEGG_COMPOUND] synonym: "guanosine 5'-(tetrahydrogen triphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "Guanosine 5'-triphosphate" RELATED [KEGG_COMPOUND] synonym: "guanosine 5'-triphosphoric acid" RELATED [ChemIDplus] synonym: "guanosine triphosphate" RELATED [ChemIDplus] synonym: "GUANOSINE-5'-TRIPHOSPHATE" RELATED [PDBeChem] synonym: "H4gtp" RELATED [ChEBI] synonym: "InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "XKMLYUALXHKNFT-UUOKFMHZSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1201437 "ChemIDplus" xref: Beilstein:74004 "Beilstein" xref: CAS:86-01-1 "KEGG COMPOUND" xref: DrugBank:DB04137 xref: KEGG:C00044 xref: KNApSAcK:C00007223 xref: PDBeChem:GTP is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate is_a: CHEBI:37121 ! guanosine 5'-phosphate relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:57600 ! GTP(3-) [Term] id: CHEBI:16002 name: D-glucaric acid namespace: chebi_ontology alt_id: CHEBI:20982 alt_id: CHEBI:4155 def: "The D-enantiomer of glucaric acid." [] subset: 3_STAR synonym: "(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "210.038" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "210.13880" RELATED MASS [ChEBI] synonym: "C6H10O8" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-(+)-saccharic acid" RELATED [HMDB] synonym: "D-Glucaric acid" EXACT [KEGG_COMPOUND] synonym: "D-glucaric acid" EXACT [ChEBI] synonym: "D-glucaric acid" EXACT IUPAC_NAME [IUPAC] synonym: "D-Glucosaccharic acid" RELATED [KEGG_COMPOUND] synonym: "D-Saccharic acid" RELATED [KEGG_COMPOUND] synonym: "DSLZVSRJTYRBFB-LLEIAEIESA-N" RELATED InChIKey [ChEBI] synonym: "Glucaric acid" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1" RELATED InChI [ChEBI] synonym: "L-Gularic acid" RELATED [KEGG_COMPOUND] synonym: "O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "saccharic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1728113 "Beilstein" xref: CAS:87-73-0 "KEGG COMPOUND" xref: Gmelin:604332 "Gmelin" xref: HMDB:HMDB29881 xref: KEGG:C00818 xref: MetaCyc:D-GLUCARATE xref: PMID:18384797 "Europe PMC" xref: PMID:21269605 "Europe PMC" xref: PMID:24333274 "Europe PMC" xref: Reaxys:1728113 "Reaxys" xref: Wikipedia:Saccharic_acid is_a: CHEBI:17301 ! glucaric acid relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: is_conjugate_acid_of CHEBI:33801 ! D-glucarate(1-) relationship: is_enantiomer_of CHEBI:47537 ! L-glucaric acid [Term] id: CHEBI:16004 name: (R)-lactate namespace: chebi_ontology alt_id: CHEBI:11001 alt_id: CHEBI:18684 def: "An optically active form of lactate having (R)-configuration." [] subset: 3_STAR synonym: "(2R)-2-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-lactate" EXACT [UniProt] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "89.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "89.07000" RELATED MASS [ChEBI] synonym: "C3H5O3" RELATED FORMULA [ChEBI] synonym: "C[C@@H](O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "D-2-hydroxypropanoate" RELATED [ChEBI] synonym: "D-2-hydroxypropionate" RELATED [ChEBI] synonym: "D-lactate" RELATED [ChEBI] synonym: "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "JVTAAEKCZFNVCJ-UWTATZPHSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4655978 "Beilstein" xref: Gmelin:362716 "Gmelin" xref: KEGG:C00256 "ChEBI" xref: MetaCyc:D-LACTATE xref: Reaxys:4655978 "Reaxys" is_a: CHEBI:24996 ! lactate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:42111 ! (R)-lactic acid relationship: is_enantiomer_of CHEBI:16651 ! (S)-lactate [Term] id: CHEBI:16016 name: dihydroxyacetone namespace: chebi_ontology alt_id: CHEBI:14340 alt_id: CHEBI:24354 alt_id: CHEBI:39809 alt_id: CHEBI:5453 def: "A ketotriose consisting of acetone bearing hydroxy substituents at positions 1 and 3. The simplest member of the class of ketoses and the parent of the class of glycerones." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,3-Dihydroxy-2-propanone" RELATED [KEGG_COMPOUND] synonym: "1,3-Dihydroxyacetone" RELATED [KEGG_COMPOUND] synonym: "1,3-Dihydroxydimethyl ketone" RELATED [ChemIDplus] synonym: "1,3-Dihydroxypropan-2-one" RELATED [KEGG_COMPOUND] synonym: "1,3-dihydroxypropan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "1,3-Dihydroxypropanone" RELATED [ChemIDplus] synonym: "1,3-propanediol-2-one" RELATED [ChEBI] synonym: "90.032" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "90.078" RELATED MASS [ChEBI] synonym: "alpha,alpha'-dihydroxyacetone" RELATED [HMDB] synonym: "Bis(hydroxymethyl) ketone" RELATED [HMDB] synonym: "C(CO)(CO)=O" RELATED SMILES [ChEBI] synonym: "C3H6O3" RELATED FORMULA [ChEBI] synonym: "DHA" RELATED [ChEBI] synonym: "DIHYDROXYACETONE" EXACT [PDBeChem] synonym: "Dihydroxyacetone" EXACT [KEGG_COMPOUND] synonym: "dihydroxyacetone" EXACT [UniProt] synonym: "Glycerone" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2" RELATED InChI [ChEBI] synonym: "RXKJFZQQPQGTFL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1740268 "Beilstein" xref: CAS:96-26-4 "KEGG COMPOUND" xref: DrugBank:DB01775 xref: HMDB:HMDB01882 xref: KEGG:C00184 xref: KEGG:D07841 xref: MetaCyc:DIHYDROXYACETONE xref: PDBeChem:2HA xref: PMID:20936361 "Europe PMC" xref: PMID:21549029 "Europe PMC" xref: PMID:21598406 "Europe PMC" xref: PMID:23543734 "Europe PMC" xref: PMID:23554234 "Europe PMC" xref: PMID:23748086 "Europe PMC" xref: PMID:24209782 "Europe PMC" xref: Reaxys:1740268 "Reaxys" xref: Wikipedia:Dihydroxyacetone is_a: CHEBI:24982 ! ketotriose relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:16027 name: AMP namespace: chebi_ontology alt_id: CHEBI:12056 alt_id: CHEBI:13234 alt_id: CHEBI:13235 alt_id: CHEBI:13736 alt_id: CHEBI:13740 alt_id: CHEBI:22242 alt_id: CHEBI:22245 alt_id: CHEBI:2356 alt_id: CHEBI:40510 alt_id: CHEBI:40726 alt_id: CHEBI:40786 alt_id: CHEBI:40826 alt_id: CHEBI:47222 def: "A purine ribonucleoside 5'-monophosphate having adenine as the nucleobase." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "347.063" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "347.22120" RELATED MASS [ChEBI] synonym: "5'-Adenosine monophosphate" RELATED [KEGG_COMPOUND] synonym: "5'-Adenylic acid" RELATED [KEGG_COMPOUND] synonym: "5'-adenylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5'-AMP" RELATED [KEGG_COMPOUND] synonym: "5'-O-phosphonoadenosine" RELATED [CBN] synonym: "adenosine 5'-(dihydrogen phosphate)" RELATED [CBN] synonym: "Adenosine 5'-monophosphate" RELATED [KEGG_COMPOUND] synonym: "Adenosine 5'-phosphate" RELATED [KEGG_COMPOUND] synonym: "ADENOSINE MONOPHOSPHATE" RELATED [PDBeChem] synonym: "adenosine phosphate" RELATED [ChemIDplus] synonym: "adenosine phosphate" RELATED INN [WHO_MedNet] synonym: "Adenosine-5'-monophosphoric acid" RELATED [HMDB] synonym: "adenosine-5'P" RELATED [CBN] synonym: "adenosini phosphas" RELATED INN [WHO_MedNet] synonym: "Adenylate" RELATED [KEGG_COMPOUND] synonym: "Adenylic acid" RELATED [KEGG_COMPOUND] synonym: "Ado5'P" RELATED [CBN] synonym: "AMP" EXACT [KEGG_COMPOUND] synonym: "C10H14N5O7P" RELATED FORMULA [KEGG_COMPOUND] synonym: "fosfato de adenosina" RELATED INN [WHO_MedNet] synonym: "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "pA" RELATED [ChEBI] synonym: "PAdo" RELATED [CBN] synonym: "phosphate d'adenosine" RELATED INN [WHO_MedNet] synonym: "UDMBCSSLTHHNCD-KQYNXXCUSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:54612 "Beilstein" xref: CAS:61-19-8 "KEGG COMPOUND" xref: COMe:MOL000174 xref: Drug_Central:92 "DrugCentral" xref: DrugBank:DB00131 xref: Gmelin:38561 "Gmelin" xref: HMDB:HMDB00045 xref: KEGG:C00020 xref: KEGG:D02769 xref: KNApSAcK:C00019347 xref: LINCS:LSM-5914 xref: MetaCyc:AMP xref: PDBeChem:AMP xref: PMID:11307758 "Europe PMC" xref: PMID:12020809 "Europe PMC" xref: PMID:12181610 "Europe PMC" xref: PMID:15148540 "Europe PMC" xref: PMID:15946677 "Europe PMC" xref: PMID:16091942 "Europe PMC" xref: PMID:16250233 "Europe PMC" xref: PMID:16295522 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:22215671 "Europe PMC" xref: PMID:22624049 "Europe PMC" xref: PMID:2559771 "Europe PMC" xref: Reaxys:54612 "Reaxys" xref: Wikipedia:Adenylic_acid is_a: CHEBI:37096 ! adenosine 5'-phosphate relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor relationship: has_role CHEBI:65056 ! EC 3.1.3.11 (fructose-bisphosphatase) inhibitor relationship: has_role CHEBI:65057 ! adenosine A1 receptor agonist relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:456215 ! AMP(2-) relationship: is_conjugate_base_of CHEBI:40721 ! AMP(1+) [Term] id: CHEBI:16040 name: cytosine namespace: chebi_ontology alt_id: CHEBI:14066 alt_id: CHEBI:23531 alt_id: CHEBI:4072 alt_id: CHEBI:41732 def: "An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "111.043" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "111.10212" RELATED MASS [ChEBI] synonym: "4-amino-2(1H)-pyrimidinone" RELATED [NIST_Chemistry_WebBook] synonym: "4-amino-2-hydroxypyrimidine" RELATED [NIST_Chemistry_WebBook] synonym: "4-aminopyrimidin-2(1H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "C" RELATED [ChEBI] synonym: "C4H5N3O" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cyt" RELATED [CBN] synonym: "Cytosin" RELATED [ChEBI] synonym: "Cytosine" EXACT [KEGG_COMPOUND] synonym: "cytosine" EXACT [UniProt] synonym: "InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)" RELATED InChI [ChEBI] synonym: "Nc1cc[nH]c(=O)n1" RELATED SMILES [ChEBI] synonym: "OPTASPLRGRRNAP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Zytosin" RELATED [ChEBI] xref: Beilstein:2637 "Beilstein" xref: CAS:71-30-7 "NIST Chemistry WebBook" xref: Gmelin:82472 "Gmelin" xref: HMDB:HMDB00630 xref: KEGG:C00380 xref: KNApSAcK:C00001498 xref: MetaCyc:CYTOSINE xref: PDBeChem:CYT xref: PMID:14253484 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:7877593 "Europe PMC" xref: Reaxys:2637 "Reaxys" xref: Wikipedia:Cytosine is_a: CHEBI:26432 ! pyrimidine nucleobase is_a: CHEBI:38337 ! pyrimidone is_a: CHEBI:38338 ! aminopyrimidine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:16042 name: halide anion namespace: chebi_ontology alt_id: CHEBI:14384 alt_id: CHEBI:5605 def: "A monoatomic monoanion resulting from the addition of an electron to any halogen atom." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "0.0" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "0.0" RELATED MASS [ChEBI] synonym: "[*-]" RELATED SMILES [ChEBI] synonym: "a halide anion" RELATED [UniProt] synonym: "Halide" RELATED [KEGG_COMPOUND] synonym: "halide anions" RELATED [ChEBI] synonym: "halide ions" EXACT IUPAC_NAME [IUPAC] synonym: "halide(1-)" RELATED [ChEBI] synonym: "halides" RELATED [ChEBI] synonym: "halogen anion" RELATED [ChEBI] synonym: "HX" RELATED [KEGG_COMPOUND] synonym: "X" RELATED FORMULA [KEGG_COMPOUND] xref: KEGG:C00462 is_a: CHEBI:33429 ! monoatomic monoanion is_a: CHEBI:79389 ! monovalent inorganic anion [Term] id: CHEBI:16062 name: N-acyl-D-mannosamine namespace: chebi_ontology alt_id: CHEBI:12479 alt_id: CHEBI:12583 alt_id: CHEBI:21641 alt_id: CHEBI:57625 alt_id: CHEBI:7229 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "206.066" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "206.17330" RELATED MASS [ChEBI] synonym: "an N-acyl-D-mannosamine" RELATED [UniProt] synonym: "C7H12NO6R" RELATED FORMULA [ChEBI] synonym: "N-Acyl-D-mannosamine" EXACT [KEGG_COMPOUND] synonym: "OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](NC([*])=O)C=O" RELATED SMILES [ChEBI] xref: KEGG:C00625 is_a: CHEBI:21656 ! N-acyl-hexosamine is_a: CHEBI:25166 ! mannosamine relationship: has_role CHEBI:75771 ! mouse metabolite [Term] id: CHEBI:16072 name: maleimide namespace: chebi_ontology alt_id: CHEBI:14560 alt_id: CHEBI:6654 def: "A cyclic dicarboximide in which the two carboacyl groups on nitrogen together with the nitogen itself form a 1H-pyrrole-2,5-dione structure." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1H-pyrrole-2,5-dione" EXACT IUPAC_NAME [IUPAC] synonym: "2,5-Pyrroledione" RELATED [KEGG_COMPOUND] synonym: "97.016" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "97.07210" RELATED MASS [ChEBI] synonym: "C4H3NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)" RELATED InChI [ChEBI] synonym: "Maleic imide" RELATED [ChemIDplus] synonym: "Maleimide" EXACT [KEGG_COMPOUND] synonym: "O=C1NC(=O)C=C1" RELATED SMILES [ChEBI] synonym: "PEEHTFAAVSWFBL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:541-59-3 "KEGG COMPOUND" xref: KEGG:C07272 xref: MetaCyc:MALEIMIDE xref: PMID:11961142 "Europe PMC" xref: Reaxys:106910 "Reaxys" xref: Wikipedia:Maleimide is_a: CHEBI:55417 ! maleimides relationship: has_parent_hydride CHEBI:19203 ! 1H-pyrrole relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor [Term] id: CHEBI:16080 name: gamma-amino-beta-hydroxybutyric acid namespace: chebi_ontology alt_id: CHEBI:1780 alt_id: CHEBI:20311 def: "A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "119.058" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "119.11920" RELATED MASS [ChEBI] synonym: "3-hydroxy-GABA" RELATED [ChemIDplus] synonym: "4-Amino-3-hydroxybutanoic acid" RELATED [KEGG_COMPOUND] synonym: "4-amino-3-hydroxybutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-amino-3-hydroxybutyric acid" RELATED [ChemIDplus] synonym: "C4H9NO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "GABOB" RELATED [KEGG_COMPOUND] synonym: "gamma-Amino-beta-hydroxybutyric acid" EXACT [KEGG_COMPOUND] synonym: "gamma-amino-beta-hydroxybutyric acid" EXACT [UniProt] synonym: "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)" RELATED InChI [ChEBI] synonym: "NCC(O)CC(O)=O" RELATED SMILES [ChEBI] synonym: "YQGDEPYYFWUPGO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1721708 "Beilstein" xref: Beilstein:1752568 "Beilstein" xref: CAS:352-21-6 "ChemIDplus" xref: Drug_Central:1263 "DrugCentral" xref: KEGG:C03678 xref: KEGG:D00174 is_a: CHEBI:33707 ! gamma-amino acid is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: is_conjugate_acid_of CHEBI:11955 ! 4-amino-3-hydroxybutanoate relationship: is_tautomer_of CHEBI:57630 ! gamma-amino-beta-hydroxybutyric acid zwitterion [Term] id: CHEBI:16094 name: thiosulfate(2-) namespace: chebi_ontology alt_id: CHEBI:15242 alt_id: CHEBI:45922 alt_id: CHEBI:9569 def: "A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "111.929" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "112.13020" RELATED MASS [ChEBI] synonym: "[O-]S([S-])(=O)=O" RELATED SMILES [ChEBI] synonym: "[SO3S](2-)" RELATED [IUPAC] synonym: "DHCDFWKWKRSZHF-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "Hyposulfite" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" RELATED InChI [ChEBI] synonym: "O3S2" RELATED FORMULA [ChEBI] synonym: "S2O3" RELATED [ChEBI] synonym: "S2O3(2-)" RELATED [IUPAC] synonym: "sulfurothioate" EXACT IUPAC_NAME [IUPAC] synonym: "TETRATHIONATE" RELATED [PDBeChem] synonym: "Thiosulfate" RELATED [KEGG_COMPOUND] synonym: "thiosulfate" EXACT IUPAC_NAME [IUPAC] synonym: "thiosulfate ion(2-)" RELATED [ChemIDplus] synonym: "thiosulphate" RELATED [ChemIDplus] synonym: "trioxido-1kappa(3)O-disulfate(S--S)(2-)" RELATED [IUPAC] synonym: "trioxidosulfidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14383-50-7 "ChemIDplus" xref: Gmelin:2031 "Gmelin" xref: PDBeChem:THJ is_a: CHEBI:33482 ! sulfur oxoanion is_a: CHEBI:48154 ! sulfur oxide is_a: CHEBI:79388 ! divalent inorganic anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:33541 ! thiosulfate(1-) [Term] id: CHEBI:16134 name: ammonia namespace: chebi_ontology alt_id: CHEBI:13405 alt_id: CHEBI:13406 alt_id: CHEBI:13407 alt_id: CHEBI:13771 alt_id: CHEBI:22533 alt_id: CHEBI:44269 alt_id: CHEBI:44284 alt_id: CHEBI:44404 alt_id: CHEBI:7434 def: "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "17.027" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "17.03056" RELATED MASS [ChEBI] synonym: "[H]N([H])[H]" RELATED SMILES [ChEBI] synonym: "[NH3]" RELATED [MolBase] synonym: "AMMONIA" EXACT [PDBeChem] synonym: "Ammonia" EXACT [KEGG_COMPOUND] synonym: "ammonia" EXACT IUPAC_NAME [IUPAC] synonym: "ammoniac" RELATED [ChEBI] synonym: "Ammoniak" RELATED [ChemIDplus] synonym: "amoniaco" RELATED [ChEBI] synonym: "azane" EXACT IUPAC_NAME [IUPAC] synonym: "H3N" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/H3N/h1H3" RELATED InChI [ChEBI] synonym: "NH3" RELATED [KEGG_COMPOUND] synonym: "NH3" RELATED [UniProt] synonym: "NH3" RELATED [IUPAC] synonym: "QGZKDVFQNNGYKY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "R-717" RELATED [ChEBI] synonym: "spirit of hartshorn" RELATED [ChemIDplus] xref: Beilstein:3587154 "Beilstein" xref: CAS:7664-41-7 "ChemIDplus" xref: Drug_Central:4625 "DrugCentral" xref: Gmelin:79 "Gmelin" xref: HMDB:HMDB00051 xref: KEGG:C00014 xref: KEGG:D02916 xref: KNApSAcK:C00007267 xref: MetaCyc:AMMONIA xref: MolBase:930 xref: PDBeChem:NH3 xref: PMID:110589 "Europe PMC" xref: PMID:11139349 "Europe PMC" xref: PMID:11540049 "Europe PMC" xref: PMID:11746427 "Europe PMC" xref: PMID:11783653 "Europe PMC" xref: PMID:13753780 "Europe PMC" xref: PMID:14663195 "Europe PMC" xref: PMID:15092448 "Europe PMC" xref: PMID:15094021 "Europe PMC" xref: PMID:15554424 "Europe PMC" xref: PMID:15969015 "Europe PMC" xref: PMID:16008360 "Europe PMC" xref: PMID:16050680 "Europe PMC" xref: PMID:16348008 "Europe PMC" xref: PMID:16349403 "Europe PMC" xref: PMID:16614889 "Europe PMC" xref: PMID:16664306 "Europe PMC" xref: PMID:16842901 "Europe PMC" xref: PMID:17025297 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:17569513 "Europe PMC" xref: PMID:17737668 "Europe PMC" xref: PMID:18670398 "Europe PMC" xref: PMID:22002069 "Europe PMC" xref: PMID:22081570 "Europe PMC" xref: PMID:22088435 "Europe PMC" xref: PMID:22100291 "Europe PMC" xref: PMID:22130175 "Europe PMC" xref: PMID:22150211 "Europe PMC" xref: PMID:22240068 "Europe PMC" xref: PMID:22290316 "Europe PMC" xref: PMID:22342082 "Europe PMC" xref: PMID:22385337 "Europe PMC" xref: PMID:22443779 "Europe PMC" xref: PMID:22560242 "Europe PMC" xref: Reaxys:3587154 "Reaxys" xref: Wikipedia:Ammonia is_a: CHEBI:35107 ! azane is_a: CHEBI:37176 ! mononuclear parent hydride relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:59740 ! nucleophilic reagent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor relationship: has_role CHEBI:78433 ! refrigerant relationship: is_conjugate_acid_of CHEBI:29337 ! azanide relationship: is_conjugate_base_of CHEBI:28938 ! ammonium [Term] id: CHEBI:16136 name: hydrogen sulfide namespace: chebi_ontology alt_id: CHEBI:13356 alt_id: CHEBI:14414 alt_id: CHEBI:24639 alt_id: CHEBI:43058 alt_id: CHEBI:45489 alt_id: CHEBI:5787 def: "A sulfur hydride consisting of s single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "33.988" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "34.08188" RELATED MASS [ChEBI] synonym: "[H]S[H]" RELATED SMILES [ChEBI] synonym: "[SH2]" RELATED [MolBase] synonym: "acide sulfhydrique" RELATED [ChemIDplus] synonym: "dihydridosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogen monosulfide" RELATED [NIST_Chemistry_WebBook] synonym: "dihydrogen sulfide" RELATED [NIST_Chemistry_WebBook] synonym: "dihydrogen(sulfide)" EXACT IUPAC_NAME [IUPAC] synonym: "H2S" RELATED [IUPAC] synonym: "H2S" RELATED [KEGG_COMPOUND] synonym: "H2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "hydrogen monosulfide" RELATED [NIST_Chemistry_WebBook] synonym: "Hydrogen sulfide" EXACT [KEGG_COMPOUND] synonym: "hydrogen sulfide" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen sulphide" RELATED [ChemIDplus] synonym: "Hydrogen-sulfide" RELATED [KEGG_COMPOUND] synonym: "hydrogene sulfure" RELATED [ChemIDplus] synonym: "HYDROSULFURIC ACID" RELATED [PDBeChem] synonym: "InChI=1S/H2S/h1H2" RELATED InChI [ChEBI] synonym: "RWSOTUBLDIXVET-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Schwefelwasserstoff" RELATED [ChemIDplus] synonym: "sulfane" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfide" RELATED [KEGG_COMPOUND] synonym: "sulfure d'hydrogene" RELATED [ChEBI] xref: Beilstein:3535004 "Beilstein" xref: CAS:7783-06-4 "KEGG COMPOUND" xref: Drug_Central:4260 "DrugCentral" xref: Gmelin:303 "Gmelin" xref: KEGG:C00283 xref: KNApSAcK:C00007266 xref: MolBase:1709 xref: PDBeChem:H2S xref: PMID:11788560 "Europe PMC" xref: PMID:14654297 "Europe PMC" xref: PMID:15003943 "Europe PMC" xref: PMID:15607739 "Europe PMC" xref: PMID:16446402 "Europe PMC" xref: PMID:18098324 "Europe PMC" xref: PMID:18524810 "Europe PMC" xref: PMID:18948540 "Europe PMC" xref: PMID:19695225 "Europe PMC" xref: PMID:22004989 "Europe PMC" xref: PMID:22378060 "Europe PMC" xref: PMID:22448627 "Europe PMC" xref: PMID:22473176 "Europe PMC" xref: PMID:22486842 "Europe PMC" xref: PMID:22520971 "Europe PMC" xref: PMID:22787557 "Europe PMC" xref: UM-BBD_compID:c0239 "ChEBI" xref: Wikipedia:Hydrogen_sulfide is_a: CHEBI:33405 ! hydracid is_a: CHEBI:33535 ! sulfur hydride is_a: CHEBI:37176 ! mononuclear parent hydride relationship: has_role CHEBI:27026 ! toxin relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:62488 ! signalling molecule relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:29919 ! hydrosulfide relationship: is_conjugate_base_of CHEBI:30488 ! sulfonium [Term] id: CHEBI:16150 name: benzoate namespace: chebi_ontology alt_id: CHEBI:13879 alt_id: CHEBI:22717 def: "The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "121.029" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "121.11340" RELATED MASS [ChEBI] synonym: "[O-]C(=O)c1ccccc1" RELATED SMILES [ChEBI] synonym: "Benzenecarboxylate" RELATED [HMDB] synonym: "Benzeneformate" RELATED [HMDB] synonym: "Benzenemethanoate" RELATED [HMDB] synonym: "benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "benzoate" EXACT [UniProt] synonym: "benzoate anion" RELATED [NIST_Chemistry_WebBook] synonym: "benzoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "C7H5O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1" RELATED InChI [ChEBI] synonym: "Phenylcarboxylate" RELATED [HMDB] synonym: "Phenylformate" RELATED [HMDB] synonym: "WPYMKLBDIGXBTP-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:1862486 "Beilstein" xref: CAS:766-76-7 "NIST Chemistry WebBook" xref: Gmelin:2945 "Gmelin" xref: HMDB:HMDB01870 xref: KEGG:C00180 "ChEBI" xref: MetaCyc:BENZOATE xref: Reaxys:1862486 "Reaxys" xref: UM-BBD_compID:c0121 "ChEBI" is_a: CHEBI:22718 ! benzoates relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:30746 ! benzoic acid [Term] id: CHEBI:16180 name: N-acylglycine namespace: chebi_ontology alt_id: CHEBI:12484 alt_id: CHEBI:21660 alt_id: CHEBI:7238 def: "An N-acyl-amino acid in which amino acid specified is glycine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "102.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "102.06880" RELATED MASS [ChEBI] synonym: "C3H4NO3R" RELATED FORMULA [ChEBI] synonym: "N-Acylglycine" EXACT [KEGG_COMPOUND] synonym: "OC(=O)CNC([*])=O" RELATED SMILES [ChEBI] xref: KEGG:C02055 xref: MetaCyc:CPD-426 is_a: CHEBI:24373 ! glycine derivative is_a: CHEBI:51569 ! N-acyl-amino acid relationship: is_conjugate_acid_of CHEBI:57670 ! N-acylglycinate [Term] id: CHEBI:16183 name: methane namespace: chebi_ontology alt_id: CHEBI:14585 alt_id: CHEBI:25220 alt_id: CHEBI:6811 def: "A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC)." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "16.031" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "16.04246" RELATED MASS [ChEBI] synonym: "[H]C([H])([H])[H]" RELATED SMILES [ChEBI] synonym: "CH4" RELATED FORMULA [KEGG_COMPOUND] synonym: "CH4" RELATED [IUPAC] synonym: "InChI=1S/CH4/h1H4" RELATED InChI [ChEBI] synonym: "marsh gas" RELATED [NIST_Chemistry_WebBook] synonym: "metano" RELATED [ChEBI] synonym: "Methan" RELATED [ChEBI] synonym: "Methane" EXACT [KEGG_COMPOUND] synonym: "methane" EXACT IUPAC_NAME [IUPAC] synonym: "methane" EXACT [UniProt] synonym: "methane" EXACT [ChEBI] synonym: "methyl hydride" RELATED [ChemIDplus] synonym: "tetrahydridocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "VNWKTOKETHGBQD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1718732 "ChemIDplus" xref: CAS:74-82-8 "KEGG COMPOUND" xref: Gmelin:59 "Gmelin" xref: HMDB:HMDB02714 xref: KEGG:C01438 xref: MetaCyc:CH4 xref: Patent:FR994032 xref: Patent:US2583090 xref: PDBeChem:CH3 xref: PMID:17791569 "Europe PMC" xref: PMID:23104415 "Europe PMC" xref: PMID:23353606 "Europe PMC" xref: PMID:23376302 "Europe PMC" xref: PMID:23397538 "Europe PMC" xref: PMID:23718889 "Europe PMC" xref: PMID:23739479 "Europe PMC" xref: PMID:23742231 "Europe PMC" xref: PMID:23756351 "Europe PMC" xref: PMID:24132456 "Europe PMC" xref: PMID:24161402 "Europe PMC" xref: PMID:24259373 "Europe PMC" xref: Reaxys:1718732 "Reaxys" xref: UM-BBD_compID:c0095 "UM-BBD" xref: Wikipedia:Methane is_a: CHEBI:18310 ! alkane is_a: CHEBI:37176 ! mononuclear parent hydride is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:35230 ! fossil fuel relationship: has_role CHEBI:76413 ! greenhouse gas relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:29438 ! methanide [Term] id: CHEBI:16189 name: sulfate namespace: chebi_ontology alt_id: CHEBI:15135 alt_id: CHEBI:45687 alt_id: CHEBI:9335 def: "A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "95.952" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "96.06360" RELATED MASS [ChEBI] synonym: "[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "[SO4](2-)" RELATED [IUPAC] synonym: "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" RELATED InChI [ChEBI] synonym: "O4S" RELATED FORMULA [ChEBI] synonym: "QAOWNCQODCNURD-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "SO4(2-)" RELATED [IUPAC] synonym: "Sulfate" EXACT [KEGG_COMPOUND] synonym: "sulfate" EXACT [UniProt] synonym: "sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfate anion(2-)" RELATED [HMDB] synonym: "Sulfate dianion" RELATED [HMDB] synonym: "SULFATE ION" RELATED [PDBeChem] synonym: "Sulfate(2-)" RELATED [HMDB] synonym: "Sulfuric acid ion(2-)" RELATED [HMDB] synonym: "sulphate" RELATED [ChEBI] synonym: "sulphate ion" RELATED [ChEBI] synonym: "tetraoxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3648446 "Beilstein" xref: CAS:14808-79-8 "ChemIDplus" xref: Gmelin:2120 "Gmelin" xref: HMDB:HMDB01448 xref: KEGG:C00059 xref: KEGG:D05963 xref: MetaCyc:SULFATE xref: PDBeChem:SO4 xref: PMID:11200094 "Europe PMC" xref: PMID:11452993 "Europe PMC" xref: PMID:11581495 "Europe PMC" xref: PMID:11798107 "Europe PMC" xref: PMID:12166931 "Europe PMC" xref: PMID:12668033 "Europe PMC" xref: PMID:14597181 "Europe PMC" xref: PMID:15093386 "Europe PMC" xref: PMID:15984785 "Europe PMC" xref: PMID:16186560 "Europe PMC" xref: PMID:16345535 "Europe PMC" xref: PMID:16347366 "Europe PMC" xref: PMID:16348007 "Europe PMC" xref: PMID:16483812 "Europe PMC" xref: PMID:16534979 "Europe PMC" xref: PMID:16656509 "Europe PMC" xref: PMID:16742508 "Europe PMC" xref: PMID:16742518 "Europe PMC" xref: PMID:17120760 "Europe PMC" xref: PMID:17420092 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:17709180 "Europe PMC" xref: PMID:18398178 "Europe PMC" xref: PMID:18815700 "Europe PMC" xref: PMID:18846414 "Europe PMC" xref: PMID:19047345 "Europe PMC" xref: PMID:19244483 "Europe PMC" xref: PMID:19544990 "Europe PMC" xref: PMID:19628332 "Europe PMC" xref: PMID:19812358 "Europe PMC" xref: Reaxys:3648446 "Reaxys" xref: Wikipedia:Sulfate is_a: CHEBI:33482 ! sulfur oxoanion is_a: CHEBI:48154 ! sulfur oxide is_a: CHEBI:79388 ! divalent inorganic anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:45696 ! hydrogensulfate [Term] id: CHEBI:16199 name: urea namespace: chebi_ontology alt_id: CHEBI:15292 alt_id: CHEBI:27218 alt_id: CHEBI:46379 alt_id: CHEBI:9888 def: "A carbonyl group with two C-bound amine groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "60.032" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "60.05534" RELATED MASS [ChEBI] synonym: "Carbamide" RELATED [KEGG_COMPOUND] synonym: "carbamide" RELATED INN [ChEBI] synonym: "carbonyldiamide" RELATED [NIST_Chemistry_WebBook] synonym: "CH4N2O" RELATED FORMULA [KEGG_COMPOUND] synonym: "E927b" RELATED [ChEBI] synonym: "H2NC(O)NH2" RELATED [ChEBI] synonym: "Harnstoff" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" RELATED InChI [ChEBI] synonym: "Karbamid" RELATED [ChEBI] synonym: "NC(N)=O" RELATED SMILES [ChEBI] synonym: "ur" RELATED [IUPAC] synonym: "UREA" EXACT [PDBeChem] synonym: "Urea" EXACT [KEGG_COMPOUND] synonym: "urea" EXACT [UniProt] synonym: "urea" EXACT IUPAC_NAME [IUPAC] synonym: "uree" RELATED [ChEBI] synonym: "XSQUKJJJFZCRTK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:635724 "Beilstein" xref: CAS:57-13-6 "KEGG COMPOUND" xref: Drug_Central:4264 "DrugCentral" xref: DrugBank:DB03904 xref: ECMDB:ECMDB04172 xref: Gmelin:1378 "Gmelin" xref: HMDB:HMDB00294 xref: KEGG:C00086 xref: KEGG:D00023 xref: KNApSAcK:C00007314 xref: MetaCyc:UREA xref: PDBeChem:URE xref: PMID:18037357 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: Reaxys:635724 "Reaxys" xref: UM-BBD_compID:c0165 "UM-BBD" xref: Wikipedia:Urea xref: YMDB:YMDB00003 is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:64708 ! one-carbon compound relationship: has_functional_parent CHEBI:28976 ! carbonic acid relationship: has_role CHEBI:33287 ! fertilizer relationship: has_role CHEBI:64577 ! flour treatment agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_tautomer_of CHEBI:48376 ! carbamimidic acid [Term] id: CHEBI:16215 name: phosphonate(2-) namespace: chebi_ontology alt_id: CHEBI:14820 alt_id: CHEBI:39856 alt_id: CHEBI:8154 def: "A divalent inorganic anion obtained by removal of both protons from phosphonic acid" [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "79.966" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "79.97990" RELATED MASS [ChEBI] synonym: "[H]P([O-])([O-])=O" RELATED SMILES [ChEBI] synonym: "[PHO3](2-)" RELATED [IUPAC] synonym: "ABLZXFCXXLZCGV-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "HO3P" RELATED FORMULA [ChEBI] synonym: "hydridotrioxidophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydridotrioxophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2" RELATED InChI [ChEBI] synonym: "PHO3(2-)" RELATED [IUPAC] synonym: "PHOSPHONATE" RELATED [PDBeChem] synonym: "Phosphonate" RELATED [KEGG_COMPOUND] synonym: "phosphonate" RELATED [UniProt] synonym: "phosphonate" RELATED [IUPAC] xref: Gmelin:1618 "Gmelin" xref: KEGG:C06701 xref: MetaCyc:PHOSPHONATE xref: PDBeChem:2PO is_a: CHEBI:33461 ! phosphorus oxoanion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:33462 ! phosphonate(1-) [Term] id: CHEBI:16221 name: sn-glycerol 1-phosphate namespace: chebi_ontology alt_id: CHEBI:12844 alt_id: CHEBI:26702 alt_id: CHEBI:26703 alt_id: CHEBI:39668 alt_id: CHEBI:5450 def: "An optically active glycerol 1-phosphate having (S)-configuration." [] subset: 3_STAR synonym: "(2S)-2,3-dihydroxypropyl dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "172.014" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "172.07372" RELATED MASS [ChEBI] synonym: "AWUCVROLDVIAJX-VKHMYHEASA-N" RELATED InChIKey [ChEBI] synonym: "C3H9O6P" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-(glycerol 3-phosphate)" RELATED [CBN] synonym: "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-(glycerol 1-phosphate)" RELATED [CBN] synonym: "L-Glycerol 1-phosphate" RELATED [KEGG_COMPOUND] synonym: "OC[C@H](O)COP(O)(O)=O" RELATED SMILES [ChEBI] synonym: "sn-glycerol 1-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "sn-Glycerol 1-phosphate" EXACT [KEGG_COMPOUND] synonym: "SN-GLYCEROL-1-PHOSPHATE" RELATED [PDBeChem] synonym: "sn-Gro-1-P" RELATED [KEGG_COMPOUND] xref: Beilstein:1723976 "Beilstein" xref: CAS:5746-57-6 "KEGG COMPOUND" xref: KEGG:C00623 xref: MetaCyc:SN-GLYCEROL-1-PHOSPHATE xref: PDBeChem:1GP xref: PMID:15066037 "Europe PMC" xref: PMID:16428851 "Europe PMC" xref: PMID:8586635 "Europe PMC" xref: Reaxys:1723976 "Reaxys" is_a: CHEBI:14336 ! glycerol 1-phosphate is_a: CHEBI:37528 ! sn-glycerol 1-phosphates relationship: has_role CHEBI:78947 ! archaeal metabolite relationship: is_conjugate_acid_of CHEBI:57685 ! sn-glycerol 1-phosphate(2-) relationship: is_enantiomer_of CHEBI:15978 ! sn-glycerol 3-phosphate [Term] id: CHEBI:16235 name: guanine namespace: chebi_ontology alt_id: CHEBI:14371 alt_id: CHEBI:14372 alt_id: CHEBI:24443 alt_id: CHEBI:42948 alt_id: CHEBI:5563 def: "A 2-aminopurine carrying a 6-oxo substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "151.049" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "151.126" RELATED MASS [ChEBI] synonym: "2-amino-1,9-dihydro-6H-purin-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-Amino-6-hydroxypurine" RELATED [KEGG_COMPOUND] synonym: "2-amino-6-oxopurine" RELATED [ChEBI] synonym: "C12=C(N=C(NC1=O)N)NC=N2" RELATED SMILES [ChEBI] synonym: "C5H5N5O" RELATED FORMULA [KEGG_COMPOUND] synonym: "C5H5N5O" RELATED FORMULA [ChEBI] synonym: "G" RELATED [ChEBI] synonym: "Gua" RELATED [CBN] synonym: "GUANINE" EXACT [PDBeChem] synonym: "Guanine" EXACT [KEGG_COMPOUND] synonym: "guanine" EXACT [UniProt] synonym: "InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)" RELATED InChI [ChEBI] synonym: "UYTPUPDQBNUYGX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:147911 "Beilstein" xref: CAS:73-40-5 "KEGG COMPOUND" xref: DrugBank:DB02377 xref: Gmelin:431879 "Gmelin" xref: HMDB:HMDB00132 xref: KEGG:C00242 xref: KNApSAcK:C00001501 xref: MetaCyc:GUANINE xref: PDBeChem:GUN xref: PMID:22770225 "Europe PMC" xref: PMID:8070089 "Europe PMC" xref: Reaxys:147911 "Reaxys" xref: Wikipedia:Guanine is_a: CHEBI:20702 ! 2-aminopurines is_a: CHEBI:25810 ! oxopurine is_a: CHEBI:26386 ! purine nucleobase relationship: has_parent_hydride CHEBI:35589 ! 9H-purine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite [Term] id: CHEBI:16236 name: ethanol namespace: chebi_ontology alt_id: CHEBI:14222 alt_id: CHEBI:23978 alt_id: CHEBI:30878 alt_id: CHEBI:30880 alt_id: CHEBI:42377 alt_id: CHEBI:44594 alt_id: CHEBI:4879 def: "A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-hydroxyethane" RELATED [ChemIDplus] synonym: "46.042" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "46.06844" RELATED MASS [ChEBI] synonym: "[CH2Me(OH)]" RELATED [MolBase] synonym: "[OEtH]" RELATED [MolBase] synonym: "Aethanol" RELATED [ChemIDplus] synonym: "Aethylalkohol" RELATED [ChemIDplus] synonym: "alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "alcohol etilico" RELATED [ChEBI] synonym: "alcool ethylique" RELATED [ChemIDplus] synonym: "Alkohol" RELATED [ChemIDplus] synonym: "C2H5OH" RELATED [ChEBI] synonym: "C2H6O" RELATED FORMULA [KEGG_COMPOUND] synonym: "CCO" RELATED SMILES [ChEBI] synonym: "Dehydrated ethanol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "etanol" RELATED [ChEBI] synonym: "ETHANOL" EXACT [PDBeChem] synonym: "Ethanol" EXACT [KEGG_COMPOUND] synonym: "ethanol" EXACT IUPAC_NAME [IUPAC] synonym: "ethanol" EXACT [UniProt] synonym: "ethanol" EXACT [ChEBI] synonym: "Ethyl alcohol" RELATED [KEGG_COMPOUND] synonym: "EtOH" RELATED [ChemIDplus] synonym: "hydroxyethane" RELATED [ChemIDplus] synonym: "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" RELATED InChI [ChEBI] synonym: "LFQSCWFLJHTTHZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Methylcarbinol" RELATED [KEGG_COMPOUND] synonym: "spiritus vini" RELATED [ChEBI] xref: Beilstein:1718733 "Beilstein" xref: CAS:64-17-5 "NIST Chemistry WebBook" xref: colombos:ETHANOL xref: Drug_Central:1076 "DrugCentral" xref: DrugBank:DB00898 xref: Gmelin:787 "Gmelin" xref: HMDB:HMDB00108 xref: KEGG:C00469 xref: KEGG:D00068 xref: KEGG:D06542 xref: KNApSAcK:C00019560 xref: MetaCyc:ETOH xref: MolBase:858 xref: MolBase:859 xref: PDBeChem:EOH xref: PDBeChem:OHE xref: PMID:11046114 "Europe PMC" xref: PMID:11090978 "Europe PMC" xref: PMID:11198720 "Europe PMC" xref: PMID:11200745 "Europe PMC" xref: PMID:11262320 "Europe PMC" xref: PMID:11303910 "Europe PMC" xref: PMID:11333032 "Europe PMC" xref: PMID:11505026 "Europe PMC" xref: PMID:11590970 "Europe PMC" xref: PMID:11728426 "Europe PMC" xref: PMID:11750186 "Europe PMC" xref: PMID:11754521 "Europe PMC" xref: PMID:11810019 "Europe PMC" xref: PMID:11826039 "Europe PMC" xref: PMID:11981228 "Europe PMC" xref: PMID:12824058 "Europe PMC" xref: PMID:12829422 "Europe PMC" xref: PMID:12888778 "Europe PMC" xref: PMID:12946583 "Europe PMC" xref: PMID:14674846 "Europe PMC" xref: PMID:15019421 "Europe PMC" xref: PMID:15239123 "Europe PMC" xref: PMID:15285839 "Europe PMC" xref: PMID:15464411 "Europe PMC" xref: PMID:15465973 "Europe PMC" xref: PMID:15749123 "Europe PMC" xref: PMID:15900217 "Europe PMC" xref: PMID:15902919 "Europe PMC" xref: PMID:16084479 "Europe PMC" xref: PMID:16133132 "Europe PMC" xref: PMID:16352430 "Europe PMC" xref: PMID:16390872 "Europe PMC" xref: PMID:16737463 "Europe PMC" xref: PMID:16891664 "Europe PMC" xref: PMID:16934862 "Europe PMC" xref: PMID:17043811 "Europe PMC" xref: PMID:17190852 "Europe PMC" xref: PMID:17663926 "Europe PMC" xref: PMID:17687877 "Europe PMC" xref: PMID:18095657 "Europe PMC" xref: PMID:18249266 "Europe PMC" xref: PMID:18320157 "Europe PMC" xref: PMID:18347649 "Europe PMC" xref: PMID:18408978 "Europe PMC" xref: PMID:18411066 "Europe PMC" xref: PMID:18456322 "Europe PMC" xref: PMID:18513832 "Europe PMC" xref: PMID:18922656 "Europe PMC" xref: PMID:18925476 "Europe PMC" xref: PMID:19280886 "Europe PMC" xref: PMID:19359288 "Europe PMC" xref: PMID:19384566 "Europe PMC" xref: PMID:19458312 "Europe PMC" xref: PMID:19851413 "Europe PMC" xref: PMID:19901811 "Europe PMC" xref: PMID:21600756 "Europe PMC" xref: PMID:21762181 "Europe PMC" xref: PMID:21881875 "Europe PMC" xref: PMID:21967628 "Europe PMC" xref: PMID:22019193 "Europe PMC" xref: PMID:22222864 "Europe PMC" xref: PMID:22261437 "Europe PMC" xref: PMID:22286266 "Europe PMC" xref: PMID:22306018 "Europe PMC" xref: PMID:22331491 "Europe PMC" xref: PMID:22336593 "Europe PMC" xref: Reaxys:1718733 "Reaxys" xref: UM-BBD_compID:c0038 "ChEBI" xref: Wikipedia:Ethanol is_a: CHEBI:23982 ! ethanols is_a: CHEBI:50584 ! alkyl alcohol relationship: has_role CHEBI:35488 ! central nervous system depressant relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:48354 ! polar solvent relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: has_role CHEBI:64018 ! protein kinase C agonist relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:52092 ! ethoxide [Term] id: CHEBI:16240 name: hydrogen peroxide namespace: chebi_ontology alt_id: CHEBI:13354 alt_id: CHEBI:13355 alt_id: CHEBI:24637 alt_id: CHEBI:44812 alt_id: CHEBI:5586 def: "An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "34.005" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "34.01468" RELATED MASS [ChEBI] synonym: "[H]OO[H]" RELATED SMILES [ChEBI] synonym: "[OH(OH)]" RELATED [MolBase] synonym: "bis(hydridooxygen)(O--O)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogen dioxide" RELATED [IUPAC] synonym: "dihydrogen peroxide" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogen(peroxide)" EXACT IUPAC_NAME [IUPAC] synonym: "dioxidane" EXACT IUPAC_NAME [IUPAC] synonym: "H2O2" RELATED [UniProt] synonym: "H2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "H2O2" RELATED [KEGG_COMPOUND] synonym: "HOOH" RELATED [IUPAC] synonym: "HYDROGEN PEROXIDE" EXACT [PDBeChem] synonym: "Hydrogen peroxide" EXACT [KEGG_COMPOUND] synonym: "hydrogen peroxide" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O2/c1-2/h1-2H" RELATED InChI [ChEBI] synonym: "MHAJPDPJQMAIIY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Oxydol" RELATED [KEGG_COMPOUND] synonym: "perhydrol" RELATED [MetaCyc] xref: Beilstein:3587191 "Beilstein" xref: CAS:7722-84-1 "KEGG COMPOUND" xref: colombos:H2O2 xref: Drug_Central:3281 "DrugCentral" xref: Gmelin:509 "Gmelin" xref: HMDB:HMDB03125 xref: KEGG:C00027 xref: KEGG:D00008 xref: MetaCyc:HYDROGEN-PEROXIDE xref: MolBase:932 xref: PDBeChem:PEO xref: PMID:10455187 "Europe PMC" xref: PMID:10557015 "Europe PMC" xref: PMID:10849784 "Europe PMC" xref: PMID:11033421 "Europe PMC" xref: PMID:11105916 "Europe PMC" xref: PMID:11318558 "Europe PMC" xref: PMID:11387393 "Europe PMC" xref: PMID:11809417 "Europe PMC" xref: PMID:11864786 "Europe PMC" xref: PMID:11893576 "Europe PMC" xref: PMID:12867293 "Europe PMC" xref: PMID:12934880 "Europe PMC" xref: PMID:14679422 "Europe PMC" xref: PMID:15028418 "Europe PMC" xref: PMID:15133946 "Europe PMC" xref: PMID:15298493 "Europe PMC" xref: PMID:16337875 "Europe PMC" xref: PMID:16463018 "Europe PMC" xref: PMID:16864869 "Europe PMC" xref: PMID:17020896 "Europe PMC" xref: PMID:17179007 "Europe PMC" xref: PMID:17610934 "Europe PMC" xref: PMID:17948137 "Europe PMC" xref: PMID:18179203 "Europe PMC" xref: PMID:18182702 "Europe PMC" xref: PMID:18306736 "Europe PMC" xref: PMID:18443210 "Europe PMC" xref: PMID:18592736 "Europe PMC" xref: PMID:19107210 "Europe PMC" xref: PMID:19229032 "Europe PMC" xref: PMID:19297450 "Europe PMC" xref: PMID:19509065 "Europe PMC" xref: PMID:26352695 "Europe PMC" xref: PMID:26365231 "Europe PMC" xref: PMID:7548021 "Europe PMC" xref: PMID:7581816 "Europe PMC" xref: PMID:8048546 "Europe PMC" xref: PMID:8375042 "Europe PMC" xref: PMID:8451754 "Europe PMC" xref: PMID:9051670 "Europe PMC" xref: PMID:9100841 "Europe PMC" xref: PMID:9168257 "Europe PMC" xref: PMID:9202721 "Europe PMC" xref: PMID:9558114 "Europe PMC" xref: Reaxys:3587191 "Reaxys" xref: Wikipedia:Hydrogen_peroxide is_a: CHEBI:24837 ! inorganic peroxide is_a: CHEBI:26523 ! reactive oxygen species relationship: has_role CHEBI:132717 ! bleaching agent relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:63248 ! oxidising agent relationship: has_role CHEBI:63490 ! explosive relationship: has_role CHEBI:65259 ! GABA antagonist relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:29192 ! hydrogenperoxide(1-) [Term] id: CHEBI:16243 name: quercetin namespace: chebi_ontology alt_id: CHEBI:11704 alt_id: CHEBI:14991 alt_id: CHEBI:26472 alt_id: CHEBI:45280 alt_id: CHEBI:8696 def: "A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "3,3',4',5,7-pentahydroxyflavone" RELATED [ChEBI] synonym: "3,5,7,3',4'-PENTAHYDROXYFLAVONE" RELATED [PDBeChem] synonym: "3,5,7,3',4'-Pentahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "302.043" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "302.23570" RELATED MASS [ChEBI] synonym: "C15H10O7" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H" RELATED InChI [ChEBI] synonym: "Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O" RELATED SMILES [ChEBI] synonym: "Quercetin" EXACT [KEGG_COMPOUND] synonym: "REFJWTPEDVJJIY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "sophoretin" RELATED [ChEBI] synonym: "xanthaurine" RELATED [ChEBI] xref: Beilstein:317313 "Beilstein" xref: CAS:117-39-5 "ChemIDplus" xref: Drug_Central:3514 "DrugCentral" xref: DrugBank:DB04216 xref: Gmelin:579210 "Gmelin" xref: HMDB:HMDB05794 xref: KEGG:C00389 xref: KNApSAcK:C00004631 xref: LINCS:LSM-4199 xref: LIPID_MAPS_instance:LMPK12110004 "LIPID MAPS" xref: MetaCyc:CPD-520 xref: Patent:KR20120121684 xref: Patent:US2013012577 xref: PDBeChem:QUE xref: PMID:16226777 "Europe PMC" xref: PMID:17015250 "Europe PMC" xref: PMID:17135030 "Europe PMC" xref: PMID:17426744 "Europe PMC" xref: PMID:18096136 "Europe PMC" xref: PMID:18484521 "Europe PMC" xref: PMID:18549926 "Europe PMC" xref: PMID:18564899 "Europe PMC" xref: PMID:18579649 "Europe PMC" xref: PMID:18785622 "Europe PMC" xref: PMID:19461927 "Europe PMC" xref: PMID:22920589 "Europe PMC" xref: PMID:23342112 "Europe PMC" xref: PMID:23359794 "Europe PMC" xref: PMID:27565033 "Europe PMC" xref: PMID:27589790 "Europe PMC" xref: PMID:27591927 "Europe PMC" xref: PMID:27704720 "Europe PMC" xref: Reaxys:317313 "Reaxys" xref: Wikipedia:Quercetin is_a: CHEBI:25883 ! pentahydroxyflavone is_a: CHEBI:52267 ! 7-hydroxyflavonol relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:38161 ! chelator relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76989 ! phytoestrogen relationship: has_role CHEBI:77020 ! EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor relationship: is_conjugate_acid_of CHEBI:57694 ! quercetin-7-olate [Term] id: CHEBI:16277 name: haloacetic acid namespace: chebi_ontology alt_id: CHEBI:14385 alt_id: CHEBI:24467 alt_id: CHEBI:5608 def: "A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a halogen atom." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "C2H3O2X" RELATED FORMULA [ChEBI] synonym: "OC(=O)C*" RELATED SMILES [ChEBI] xref: KEGG:C01812 is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:36684 ! organohalogen compound relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: is_conjugate_acid_of CHEBI:85638 ! haloacetate(1-) [Term] id: CHEBI:16284 name: dATP namespace: chebi_ontology alt_id: CHEBI:10491 alt_id: CHEBI:14069 alt_id: CHEBI:19238 alt_id: CHEBI:42290 def: "A purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "2'-Deoxyadenosine 5'-triphosphate" RELATED [KEGG_COMPOUND] synonym: "2'-deoxyadenosine 5'-triphosphate" RELATED [ChEBI] synonym: "491.001" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "491.18160" RELATED MASS [ChEBI] synonym: "C10H16N5O12P3" RELATED FORMULA [KEGG_COMPOUND] synonym: "dATP" EXACT [KEGG_COMPOUND] synonym: "Deoxyadenosine 5'-triphosphate" RELATED [KEGG_COMPOUND] synonym: "Deoxyadenosine triphosphate" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1" RELATED SMILES [ChEBI] synonym: "SUYVUBYJARFZHO-RRKCRQDMSA-N" RELATED InChIKey [ChEBI] xref: CAS:1927-31-7 "KEGG COMPOUND" xref: DrugBank:DB03222 xref: KEGG:C00131 is_a: CHEBI:19237 ! 2'-deoxyadenosine 5'-phosphate is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:495505 ! dATP(3-) [Term] id: CHEBI:16296 name: D-tryptophan namespace: chebi_ontology alt_id: CHEBI:13028 alt_id: CHEBI:21110 alt_id: CHEBI:42157 alt_id: CHEBI:42206 alt_id: CHEBI:42235 alt_id: CHEBI:42297 alt_id: CHEBI:4257 def: "The D-enantiomer of tryptophan." [] subset: 3_STAR synonym: "(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid" RELATED [IUPAC] synonym: "(R)-tryptophan" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "204.090" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "204.22526" RELATED MASS [ChEBI] synonym: "C11H12N2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-TRYPTOPHAN" EXACT [PDBeChem] synonym: "D-Tryptophan" EXACT [KEGG_COMPOUND] synonym: "D-tryptophan" EXACT IUPAC_NAME [IUPAC] synonym: "DTR" RELATED [PDBeChem] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](Cc1c[nH]c2ccccc12)C(O)=O" RELATED SMILES [ChEBI] synonym: "QIVBCDIJIAJPQS-SECBINFHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:86198 "Beilstein" xref: CAS:153-94-6 "KEGG COMPOUND" xref: DrugBank:DB03225 xref: Gmelin:83743 "Gmelin" xref: HMDB:HMDB13609 xref: KEGG:C00525 xref: MetaCyc:D-TRYPTOPHAN xref: PDBeChem:DTR xref: PMID:21560237 "Europe PMC" xref: PMID:22156410 "Europe PMC" xref: PMID:22336999 "Europe PMC" xref: PMID:24097941 "Europe PMC" xref: Reaxys:86198 "Reaxys" xref: YMDB:YMDB00998 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:27897 ! tryptophan relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:32716 ! D-tryptophanate relationship: is_conjugate_base_of CHEBI:32717 ! D-tryptophanium relationship: is_enantiomer_of CHEBI:16828 ! L-tryptophan relationship: is_tautomer_of CHEBI:57719 ! D-tryptophan zwitterion [Term] id: CHEBI:16301 name: nitrite namespace: chebi_ontology alt_id: CHEBI:14658 alt_id: CHEBI:44396 alt_id: CHEBI:7585 def: "The nitrogen oxoanion formed by loss of a proton from nitrous acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "45.993" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "46.00554" RELATED MASS [ChEBI] synonym: "[NO2](-)" RELATED [IUPAC] synonym: "[O-]N=O" RELATED SMILES [ChEBI] synonym: "dioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dioxonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dioxonitrate(III)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1" RELATED InChI [ChEBI] synonym: "IOVCWXUNBOPUCH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "Nitrit" RELATED [ChEBI] synonym: "Nitrite" EXACT [KEGG_COMPOUND] synonym: "nitrite" EXACT [UniProt] synonym: "nitrite" EXACT IUPAC_NAME [IUPAC] synonym: "nitrite anion" RELATED [ChemIDplus] synonym: "NITRITE ION" RELATED [PDBeChem] synonym: "nitrite(1-)" RELATED [ChemIDplus] synonym: "nitrous acid, ion(1-)" RELATED [ChemIDplus] synonym: "NO2" RELATED [ChEBI] synonym: "NO2" RELATED FORMULA [ChEBI] synonym: "NO2(-)" RELATED [IUPAC] xref: CAS:14797-65-0 "NIST Chemistry WebBook" xref: colombos:NO2 xref: Gmelin:977 "Gmelin" xref: KEGG:C00088 xref: PDBeChem:NO2 xref: Wikipedia:Nitrite is_a: CHEBI:33458 ! nitrogen oxoanion is_a: CHEBI:62764 ! reactive nitrogen species is_a: CHEBI:79389 ! monovalent inorganic anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:25567 ! nitrous acid [Term] id: CHEBI:16335 name: adenosine namespace: chebi_ontology alt_id: CHEBI:13734 alt_id: CHEBI:22237 alt_id: CHEBI:2472 alt_id: CHEBI:40558 alt_id: CHEBI:40825 alt_id: CHEBI:40906 def: "A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond." [] subset: 3_STAR synonym: "(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" RELATED [DrugBank] synonym: "0" RELATED CHARGE [ChEBI] synonym: "267.097" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "267.24152" RELATED MASS [ChEBI] synonym: "6-Amino-9-beta-D-ribofuranosyl-9H-purine" RELATED [ChemIDplus] synonym: "9-beta-D-Ribofuranosidoadenine" RELATED [ChemIDplus] synonym: "9-beta-D-Ribofuranosyl-9H-purin-6-amine" RELATED [ChemIDplus] synonym: "9-beta-D-ribofuranosyl-9H-purin-6-amine" RELATED [ChEBI] synonym: "Ade-Rib" RELATED [CBN] synonym: "Adenine Deoxyribonucleoside" RELATED [DrugBank] synonym: "Adenocard" RELATED BRAND_NAME [DrugBank] synonym: "Adenocor" RELATED BRAND_NAME [DrugBank] synonym: "Adenoscan" RELATED BRAND_NAME [DrugBank] synonym: "Adenosin" RELATED [ChEBI] synonym: "ADENOSINE" EXACT [PDBeChem] synonym: "Adenosine" EXACT [KEGG_COMPOUND] synonym: "adenosine" EXACT IUPAC_NAME [IUPAC] synonym: "adenosine" EXACT [UniProt] synonym: "Adenyldeoxyriboside" RELATED [DrugBank] synonym: "Ado" RELATED [CBN] synonym: "beta-D-Adenosine" RELATED [ChemIDplus] synonym: "C10H13N5O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "Deoxyadenosine" RELATED [DrugBank] synonym: "Desoxyadenosine" RELATED [DrugBank] synonym: "InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "OIRDTQYFTABQOQ-KQYNXXCUSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:93029 "Beilstein" xref: CAS:58-61-7 "NIST Chemistry WebBook" xref: Drug_Central:90 "DrugCentral" xref: DrugBank:DB00640 xref: ECMDB:ECMDB00050 xref: Gmelin:53385 "Gmelin" xref: HMDB:HMDB00050 xref: KEGG:C00212 xref: KEGG:D00045 xref: KNApSAcK:C00007444 xref: LINCS:LSM-28568 xref: MetaCyc:ADENOSINE xref: PDBeChem:ADN xref: PMID:11213237 "Europe PMC" xref: PMID:11820865 "Europe PMC" xref: PMID:11978011 "Europe PMC" xref: PMID:16183671 "Europe PMC" xref: PMID:16917093 "Europe PMC" xref: PMID:17190852 "Europe PMC" xref: PMID:18000974 "Europe PMC" xref: PMID:323854 "Europe PMC" xref: Reaxys:93029 "Reaxys" xref: Wikipedia:Adenosine xref: YMDB:YMDB00058 is_a: CHEBI:22260 ! adenosines relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:16359 name: cholic acid namespace: chebi_ontology alt_id: CHEBI:1694 alt_id: CHEBI:20223 alt_id: CHEBI:23210 alt_id: CHEBI:41494 def: "A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12." [] subset: 3_STAR synonym: "(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate" RELATED [KEGG_COMPOUND] synonym: "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid" RELATED [KEGG_COMPOUND] synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid" RELATED [NIST_Chemistry_WebBook] synonym: "408.288" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "408.57140" RELATED MASS [ChEBI] synonym: "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O" RELATED SMILES [ChEBI] synonym: "BHQCQFFYRZLCQQ-OELDTZBJSA-N" RELATED InChIKey [ChEBI] synonym: "C24H40O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "CHOLIC ACID" EXACT [PDBeChem] synonym: "Cholic acid" EXACT [KEGG_COMPOUND] synonym: "Cholsaeure" RELATED [ChEBI] synonym: "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1" RELATED InChI [ChEBI] xref: Beilstein:2822009 "ChemIDplus" xref: CAS:81-25-4 "ChemIDplus" xref: colombos:CHOLIC_ACID xref: Drug_Central:3096 "DrugCentral" xref: DrugBank:DB02659 xref: HMDB:HMDB00619 xref: KEGG:C00695 xref: LINCS:LSM-5541 xref: LIPID_MAPS_instance:LMST04010001 "LIPID MAPS" xref: MetaCyc:CHOLATE xref: PDBeChem:CHD xref: PMID:22770225 "Europe PMC" xref: Reaxys:2822009 "Reaxys" xref: Wikipedia:Cholic_Acid is_a: CHEBI:131620 ! C24-steroid is_a: CHEBI:27114 ! trihydroxy-5beta-cholanic acid is_a: CHEBI:3098 ! bile acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:29747 ! cholate [Term] id: CHEBI:16375 name: D-cysteine namespace: chebi_ontology alt_id: CHEBI:12919 alt_id: CHEBI:20921 alt_id: CHEBI:4111 alt_id: CHEBI:41887 def: "An optically active form of cysteine having D-configuration." [] subset: 3_STAR synonym: "(2S)-2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "(2S)-2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "(S)-2-amino-3-mercaptopropanoic acid" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "121.020" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "121.15922" RELATED MASS [ChEBI] synonym: "C3H7NO2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Cystein" RELATED [ChEBI] synonym: "D-CYSTEINE" EXACT [PDBeChem] synonym: "D-Cysteine" EXACT [KEGG_COMPOUND] synonym: "D-cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "D-Zystein" RELATED [ChEBI] synonym: "DCY" RELATED [PDBeChem] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](CS)C(O)=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-UWTATZPHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1721407 "Beilstein" xref: CAS:921-01-7 "KEGG COMPOUND" xref: DrugBank:DB03201 xref: ECMDB:ECMDB03417 xref: Gmelin:363236 "Gmelin" xref: HMDB:HMDB03417 xref: KEGG:C00793 xref: KNApSAcK:C00007323 xref: PDBeChem:DCY xref: PMID:13761469 "Europe PMC" xref: PMID:23340406 "Europe PMC" xref: PMID:24800864 "Europe PMC" xref: Reaxys:1721407 "Reaxys" xref: YMDB:YMDB00913 is_a: CHEBI:15356 ! cysteine is_a: CHEBI:16733 ! D-alpha-amino acid relationship: is_conjugate_acid_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32451 ! D-cysteinium relationship: is_enantiomer_of CHEBI:17561 ! L-cysteine relationship: is_tautomer_of CHEBI:35236 ! D-cysteine zwitterion [Term] id: CHEBI:16381 name: 2'-deoxyribonucleoside 5'-triphosphate namespace: chebi_ontology alt_id: CHEBI:14121 alt_id: CHEBI:37072 alt_id: CHEBI:4426 subset: 1_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2'-deoxynucleoside 5'-(tetrahydrogen triphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "2'-deoxyribonucleoside 5'-triphosphates" RELATED [ChEBI] synonym: "356.954" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "357.06290" RELATED MASS [ChEBI] synonym: "C5H12O12P3R" RELATED FORMULA [ChEBI] synonym: "Deoxynucleoside triphosphate" RELATED [KEGG_COMPOUND] synonym: "O[C@H]1C[C@H]([*])O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O" RELATED SMILES [ChEBI] xref: KEGG:C00677 is_a: CHEBI:37016 ! 2'-deoxyribonucleoside 5'-phosphate relationship: is_conjugate_acid_of CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) [Term] id: CHEBI:16398 name: D-threonine namespace: chebi_ontology alt_id: CHEBI:13027 alt_id: CHEBI:21107 alt_id: CHEBI:42146 alt_id: CHEBI:42196 alt_id: CHEBI:42224 alt_id: CHEBI:4254 alt_id: CHEBI:45935 alt_id: CHEBI:45990 def: "An optically active form of threonine having D-configuration." [] subset: 3_STAR synonym: "(2R,3S)-2-amino-3-hydroxybutanoic acid" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "119.058" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "119.11920" RELATED MASS [ChEBI] synonym: "AYFVYJQAPQTCCC-STHAYSLISA-N" RELATED InChIKey [ChEBI] synonym: "C4H9NO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@H](O)[C@@H](N)C(O)=O" RELATED SMILES [ChEBI] synonym: "D-2-Amino-3-hydroxybutyric acid" RELATED [KEGG_COMPOUND] synonym: "D-2-Amino-3-hydroxybutyric acid" RELATED [HMDB] synonym: "D-Threonin" RELATED [ChEBI] synonym: "D-THREONINE" EXACT [PDBeChem] synonym: "D-Threonine" EXACT [KEGG_COMPOUND] synonym: "D-threonine" EXACT IUPAC_NAME [IUPAC] synonym: "DTH" RELATED [PDBeChem] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1" RELATED InChI [ChEBI] xref: Beilstein:1721643 "ChemIDplus" xref: Beilstein:4656043 "Beilstein" xref: CAS:632-20-2 "KEGG COMPOUND" xref: DrugBank:DB03700 xref: ECMDB:ECMDB21519 xref: Gmelin:874136 "Gmelin" xref: HMDB:HMDB13775 xref: KEGG:C00820 xref: PDBeChem:DTH xref: PMID:15375647 "Europe PMC" xref: PMID:17081141 "Europe PMC" xref: PMID:22176976 "Europe PMC" xref: Reaxys:1721643 "Reaxys" xref: YMDB:YMDB00802 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:26986 ! threonine relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_acid_of CHEBI:32827 ! D-threoninate relationship: is_conjugate_base_of CHEBI:32828 ! D-threoninium relationship: is_enantiomer_of CHEBI:16857 ! L-threonine relationship: is_tautomer_of CHEBI:57757 ! D-threonine zwitterion [Term] id: CHEBI:16411 name: indole-3-acetic acid namespace: chebi_ontology alt_id: CHEBI:24802 alt_id: CHEBI:5905 def: "A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group." [] subset: 3_STAR synonym: "(Indol-3-yl)acetate" RELATED [KEGG_COMPOUND] synonym: "(indol-3-yl)acetic acid" RELATED [UniProt] synonym: "0" RELATED CHARGE [ChEBI] synonym: "175.063" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "175.18400" RELATED MASS [ChEBI] synonym: "1H-indol-3-ylacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-(indol-3-yl)ethanoic acid" RELATED [ChEBI] synonym: "3-Indolylessigsaeure" RELATED [ChEBI] synonym: "C10H9NO2" RELATED FORMULA [ChEBI] synonym: "heteroauxin" RELATED [NIST_Chemistry_WebBook] synonym: "IAA" RELATED [NIST_Chemistry_WebBook] synonym: "IAA" RELATED [KEGG_COMPOUND] synonym: "IES" RELATED [ChEBI] synonym: "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)" RELATED InChI [ChEBI] synonym: "Indole-3-acetic acid" EXACT [KEGG_COMPOUND] synonym: "Indoleacetic acid" RELATED [KEGG_COMPOUND] synonym: "OC(=O)Cc1c[nH]c2ccccc12" RELATED SMILES [ChEBI] synonym: "SEOVTRFCIGRIMH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:143358 "Beilstein" xref: CAS:87-51-4 "KEGG COMPOUND" xref: colombos:IAA xref: DrugBank:DB07950 xref: Gmelin:143197 "Gmelin" xref: HMDB:HMDB00197 xref: KEGG:C00954 xref: KNApSAcK:C00000100 xref: PDBeChem:IAC xref: PMID:13610897 "Europe PMC" xref: PMID:23545355 "Europe PMC" xref: PMID:24285754 "Europe PMC" xref: Reaxys:143358 "Reaxys" xref: Wikipedia:Indole-3-acetic_acid is_a: CHEBI:24803 ! indole-3-acetic acids is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_role CHEBI:22676 ! auxin relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:30854 ! indole-3-acetate [Term] id: CHEBI:16449 name: alanine namespace: chebi_ontology alt_id: CHEBI:13748 alt_id: CHEBI:22277 alt_id: CHEBI:2539 def: "An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-Aminopropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2-aminopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "89.048" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "89.09322" RELATED MASS [ChEBI] synonym: "A" RELATED [ChEBI] synonym: "ALA" RELATED [ChEBI] synonym: "Alanin" RELATED [ChEBI] synonym: "alanina" RELATED [ChEBI] synonym: "Alanine" EXACT [KEGG_COMPOUND] synonym: "alanine" EXACT [UniProt] synonym: "alanine" EXACT IUPAC_NAME [IUPAC] synonym: "C3H7NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(N)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)" RELATED InChI [ChEBI] synonym: "QNAYBMKLOCPYGJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:635807 "Beilstein" xref: CAS:302-72-7 "KEGG COMPOUND" xref: colombos:ALANINE xref: Drug_Central:4306 "DrugCentral" xref: Gmelin:2449 "Gmelin" xref: KEGG:C01401 xref: PMID:17439666 "Europe PMC" xref: PMID:22264337 "Europe PMC" xref: Reaxys:635807 "Reaxys" xref: Wikipedia:Alanine is_a: CHEBI:33704 ! alpha-amino acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32439 ! alaninate relationship: is_conjugate_base_of CHEBI:32440 ! alaninium relationship: is_tautomer_of CHEBI:66916 ! alanine zwitterion [Term] id: CHEBI:16454 name: pantothenate namespace: chebi_ontology alt_id: CHEBI:14739 alt_id: CHEBI:25846 def: "A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "218.103" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "218.22700" RELATED MASS [ChEBI] synonym: "3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "C9H16NO5" RELATED FORMULA [ChEBI] synonym: "CC(C)(CO)C(O)C(=O)NCCC([O-])=O" RELATED SMILES [ChEBI] synonym: "GHOKWGTUZJEAQD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1" RELATED InChI [ChEBI] synonym: "N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate" RELATED [ChEBI] synonym: "pantothenate" EXACT [UniProt] xref: PMID:21463532 "Europe PMC" is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_base_of CHEBI:7916 ! pantothenic acid [Term] id: CHEBI:16467 name: L-arginine namespace: chebi_ontology alt_id: CHEBI:13077 alt_id: CHEBI:21235 alt_id: CHEBI:42927 alt_id: CHEBI:6185 def: "An L-alpha-amino acid that is the L-isomer of arginine." [] subset: 3_STAR synonym: "(2S)-2-amino-5-(carbamimidamido)pentanoic acid" RELATED [IUPAC] synonym: "(2S)-2-amino-5-guanidinopentanoic acid" RELATED [JCBN] synonym: "(S)-2-amino-5-guanidinopentanoic acid" RELATED [ChEBI] synonym: "(S)-2-Amino-5-guanidinovaleric acid" RELATED [KEGG_COMPOUND] synonym: "0" RELATED CHARGE [ChEBI] synonym: "174.112" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "174.20100" RELATED MASS [ChEBI] synonym: "Arg" RELATED [DrugBank] synonym: "arginine" RELATED INN [KEGG_DRUG] synonym: "C6H14N4O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-(+)-arginine" RELATED [NIST_Chemistry_WebBook] synonym: "L-Arg" RELATED [DrugBank] synonym: "L-Arginin" RELATED [ChEBI] synonym: "L-Arginine" EXACT [KEGG_COMPOUND] synonym: "L-arginine" EXACT IUPAC_NAME [IUPAC] synonym: "N[C@@H](CCCNC(N)=N)C(O)=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-BYPYZUCNSA-N" RELATED InChIKey [ChEBI] synonym: "R" RELATED [MetaCyc] xref: Beilstein:1725413 "ChemIDplus" xref: CAS:74-79-3 "ChemIDplus" xref: Drug_Central:1549 "DrugCentral" xref: DrugBank:DB00125 xref: ECMDB:ECMDB00517 xref: Gmelin:83283 "Gmelin" xref: HMDB:HMDB00517 xref: KEGG:C00062 xref: KEGG:D02982 xref: KNApSAcK:C00001340 xref: MetaCyc:ARG xref: PDBeChem:ARG xref: PDBeChem:GND xref: PMID:10848923 "Europe PMC" xref: PMID:11139824 "Europe PMC" xref: PMID:11300497 "Europe PMC" xref: PMID:11898853 "Europe PMC" xref: PMID:12812828 "Europe PMC" xref: PMID:15016745 "Europe PMC" xref: PMID:15465805 "Europe PMC" xref: PMID:16056256 "Europe PMC" xref: PMID:16416365 "Europe PMC" xref: PMID:17168727 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:19030957 "Europe PMC" xref: PMID:21600268 "Europe PMC" xref: PMID:21814794 "Europe PMC" xref: PMID:22179117 "Europe PMC" xref: PMID:22243793 "Europe PMC" xref: PMID:22251130 "Europe PMC" xref: PMID:22361732 "Europe PMC" xref: PMID:22425811 "Europe PMC" xref: PMID:22428068 "Europe PMC" xref: PMID:22439203 "Europe PMC" xref: PMID:22553931 "Europe PMC" xref: PMID:22619480 "Europe PMC" xref: PMID:22626826 "Europe PMC" xref: PMID:22652429 "Europe PMC" xref: PMID:22667467 "Europe PMC" xref: PMID:22709481 "Europe PMC" xref: PMID:8070089 "Europe PMC" xref: Reaxys:1725413 "Reaxys" xref: Wikipedia:L-arginine xref: YMDB:YMDB00592 is_a: CHEBI:24318 ! glutamine family amino acid is_a: CHEBI:29016 ! arginine relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:32681 ! L-argininate relationship: is_conjugate_base_of CHEBI:32682 ! L-argininium(1+) relationship: is_enantiomer_of CHEBI:15816 ! D-arginine [Term] id: CHEBI:16480 name: nitric oxide namespace: chebi_ontology alt_id: CHEBI:14657 alt_id: CHEBI:25546 alt_id: CHEBI:44452 alt_id: CHEBI:7583 def: "A nitrogen oxide which is a free radical, each molecule of which consists of one nitrogen and one oxygen atom." [] subset: 3_STAR synonym: "(.)NO" RELATED [ChEBI] synonym: "(NO)(.)" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "29.998" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "30.00614" RELATED MASS [ChEBI] synonym: "[N]=O" RELATED SMILES [ChEBI] synonym: "[NO]" RELATED [MolBase] synonym: "EDRF" RELATED [ChEBI] synonym: "endothelium-derived relaxing factor" RELATED [ChEBI] synonym: "InChI=1S/NO/c1-2" RELATED InChI [ChEBI] synonym: "mononitrogen monoxide" RELATED [ChemIDplus] synonym: "monoxido de nitrogeno" RELATED [ChEBI] synonym: "monoxyde d'azote" RELATED [ChEBI] synonym: "MWUXSHHQAYIFBG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Nitric oxide" EXACT [KEGG_COMPOUND] synonym: "nitric oxide" EXACT [UniProt] synonym: "nitrogen monooxide" RELATED [IUPAC] synonym: "Nitrogen monoxide" RELATED [KEGG_COMPOUND] synonym: "nitrogen monoxide" RELATED [IUPAC] synonym: "nitrosyl" RELATED [IUPAC] synonym: "NO" RELATED [KEGG_COMPOUND] synonym: "NO" RELATED FORMULA [KEGG_COMPOUND] synonym: "NO(.)" RELATED [IUPAC] synonym: "oxido de nitrogeno(II)" RELATED [ChEBI] synonym: "oxido nitrico" RELATED [ChEBI] synonym: "oxidonitrogen(.)" EXACT IUPAC_NAME [IUPAC] synonym: "oxoazanyl" EXACT IUPAC_NAME [IUPAC] synonym: "oxyde azotique" RELATED [ChEBI] synonym: "oxyde nitrique" RELATED [ChEBI] synonym: "Stickstoff(II)-oxid" RELATED [ChEBI] synonym: "Stickstoffmonoxid" RELATED [ChEBI] xref: CAS:10102-43-9 "NIST Chemistry WebBook" xref: DrugBank:DB00435 xref: Gmelin:451 "Gmelin" xref: KEGG:C00533 xref: KEGG:D00074 xref: MolBase:943 xref: PDBeChem:NO xref: Reaxys:3587257 "Reaxys" xref: Wikipedia:Nitric_oxide is_a: CHEBI:26523 ! reactive oxygen species is_a: CHEBI:35196 ! nitrogen oxide is_a: CHEBI:36871 ! inorganic radical is_a: CHEBI:62764 ! reactive nitrogen species relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:35523 ! bronchodilator agent relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:62488 ! signalling molecule relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:16498 name: N-acylneuraminic acid namespace: chebi_ontology alt_id: CHEBI:12485 alt_id: CHEBI:21664 alt_id: CHEBI:7240 def: "Any neuraminic acid carrying an N-acyl substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "294.083" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "294.23530" RELATED MASS [ChEBI] synonym: "5-alkanamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC([*])=O)C(O)=O)[C@H](O)[C@H](O)CO" RELATED SMILES [ChEBI] synonym: "C10H16NO9R" RELATED FORMULA [ChEBI] synonym: "N-Acylneuraminate" RELATED [KEGG_COMPOUND] synonym: "N-acylneuraminic acids" RELATED [ChEBI] xref: KEGG:C00591 is_a: CHEBI:26667 ! sialic acid relationship: is_conjugate_acid_of CHEBI:60073 ! N-acylneuraminate [Term] id: CHEBI:16516 name: 2'-deoxyribonucleoside triphosphate namespace: chebi_ontology alt_id: CHEBI:11397 alt_id: CHEBI:19258 alt_id: CHEBI:839 subset: 3_STAR synonym: "2'-Deoxyribonucleoside triphosphate" EXACT [KEGG_COMPOUND] synonym: "2'-deoxyribonucleoside triphosphate" EXACT [UniProt] synonym: "2'-deoxyribonucleoside triphosphates" RELATED [ChEBI] synonym: "C5H12O12P3R" RELATED FORMULA [KEGG_COMPOUND] xref: KEGG:C04283 is_a: CHEBI:17326 ! nucleoside triphosphate [Term] id: CHEBI:16523 name: D-serine namespace: chebi_ontology alt_id: CHEBI:13019 alt_id: CHEBI:143888 alt_id: CHEBI:21090 alt_id: CHEBI:42262 alt_id: CHEBI:4245 def: "The R-enantiomer of serine." [] subset: 3_STAR synonym: "(2R)-2-amino-3-hydroxypropanoic acid" RELATED [IUPAC] synonym: "(R)-2-Amino-3-hydroxy-propionic acid" RELATED [ChEMBL] synonym: "(R)-2-amino-3-hydroxypropanoic acid" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "105.043" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "105.09262" RELATED MASS [ChEBI] synonym: "C3H7NO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-Serin" RELATED [ChEBI] synonym: "D-SERINE" EXACT [PDBeChem] synonym: "D-Serine" EXACT [KEGG_COMPOUND] synonym: "D-serine" EXACT IUPAC_NAME [IUPAC] synonym: "DSN" RELATED [PDBeChem] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "MTCFGRXMJLQNBG-UWTATZPHSA-N" RELATED InChIKey [ChEBI] synonym: "N[C@H](CO)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1721403 "Beilstein" xref: CAS:312-84-5 "KEGG COMPOUND" xref: DrugBank:DB03929 xref: ECMDB:ECMDB03406 xref: Gmelin:1041392 "Gmelin" xref: HMDB:HMDB03406 xref: KEGG:C00740 xref: MetaCyc:D-SERINE xref: PDBeChem:DSN xref: PMID:11864625 "Europe PMC" xref: PMID:12850593 "Europe PMC" xref: PMID:19212759 "Europe PMC" xref: PMID:19217074 "Europe PMC" xref: PMID:21295046 "Europe PMC" xref: PMID:21914633 "Europe PMC" xref: PMID:21956571 "Europe PMC" xref: PMID:22117694 "Europe PMC" xref: PMID:22128843 "Europe PMC" xref: PMID:22266400 "Europe PMC" xref: PMID:22280157 "Europe PMC" xref: PMID:22362148 "Europe PMC" xref: PMID:22369458 "Europe PMC" xref: PMID:22445805 "Europe PMC" xref: PMID:22465696 "Europe PMC" xref: PMID:22486999 "Europe PMC" xref: Reaxys:1721403 "Reaxys" xref: YMDB:YMDB00284 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:17822 ! serine relationship: has_role CHEBI:64571 ! NMDA receptor agonist relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32840 ! D-serinate relationship: is_conjugate_base_of CHEBI:32841 ! D-serinium relationship: is_enantiomer_of CHEBI:17115 ! L-serine relationship: is_tautomer_of CHEBI:35247 ! D-serine zwitterion [Term] id: CHEBI:16526 name: carbon dioxide namespace: chebi_ontology alt_id: CHEBI:13282 alt_id: CHEBI:13283 alt_id: CHEBI:13284 alt_id: CHEBI:13285 alt_id: CHEBI:23011 alt_id: CHEBI:3283 alt_id: CHEBI:48829 def: "A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "44.00950" RELATED MASS [ChEBI] synonym: "[CO2]" RELATED [MolBase] synonym: "CARBON DIOXIDE" EXACT [PDBeChem] synonym: "Carbon dioxide" EXACT [KEGG_COMPOUND] synonym: "carbon dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "carbonic anhydride" RELATED [UM-BBD] synonym: "CO2" RELATED [UniProt] synonym: "CO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CO2" RELATED [KEGG_COMPOUND] synonym: "CURLTUGMZLYLDI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "dioxidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "E 290" RELATED [ChEBI] synonym: "E-290" RELATED [ChEBI] synonym: "E290" RELATED [ChEBI] synonym: "InChI=1S/CO2/c2-1-3" RELATED InChI [ChEBI] synonym: "O=C=O" RELATED SMILES [ChEBI] synonym: "R-744" RELATED [ChEBI] xref: Beilstein:1900390 "Beilstein" xref: CAS:124-38-9 "KEGG COMPOUND" xref: colombos:CO2 xref: Drug_Central:4256 "DrugCentral" xref: Gmelin:989 "Gmelin" xref: HMDB:HMDB01967 xref: KEGG:C00011 xref: KEGG:D00004 xref: MetaCyc:CARBON-DIOXIDE xref: MolBase:752 xref: PDBeChem:CO2 xref: PMID:10826146 "Europe PMC" xref: PMID:11094503 "Europe PMC" xref: PMID:11584085 "Europe PMC" xref: PMID:11802652 "Europe PMC" xref: PMID:14639145 "Europe PMC" xref: PMID:15050588 "Europe PMC" xref: PMID:16591971 "Europe PMC" xref: PMID:16656478 "Europe PMC" xref: PMID:16659660 "Europe PMC" xref: PMID:17190796 "Europe PMC" xref: PMID:17448243 "Europe PMC" xref: PMID:17878298 "Europe PMC" xref: PMID:17884085 "Europe PMC" xref: PMID:19043767 "Europe PMC" xref: PMID:19259576 "Europe PMC" xref: PMID:19854893 "Europe PMC" xref: PMID:23384758 "Europe PMC" xref: PMID:23828359 "Europe PMC" xref: PMID:24258718 "Europe PMC" xref: PMID:8482095 "Europe PMC" xref: PMID:8818713 "Europe PMC" xref: PMID:8869828 "Europe PMC" xref: PMID:9611769 "Europe PMC" xref: PMID:9730350 "Europe PMC" xref: Reaxys:1900390 "Reaxys" xref: UM-BBD_compID:c0131 "UM-BBD" xref: Wikipedia:Carbon_dioxide is_a: CHEBI:23014 ! carbon oxide is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:38867 ! anaesthetic relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:48706 ! antagonist relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76413 ! greenhouse gas relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:77974 ! food packaging gas relationship: has_role CHEBI:78017 ! food propellant relationship: has_role CHEBI:78433 ! refrigerant [Term] id: CHEBI:16537 name: galactarate(2-) namespace: chebi_ontology alt_id: CHEBI:12929 alt_id: CHEBI:14285 alt_id: CHEBI:20944 alt_id: CHEBI:24135 def: "A dicarboxylic acid dianion that is the conjugate base of galactarate(1-)." [] subset: 3_STAR synonym: "(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "208.022" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "208.12292" RELATED MASS [ChEBI] synonym: "C6H8O8" RELATED FORMULA [ChEBI] synonym: "DSLZVSRJTYRBFB-DUHBMQHGSA-L" RELATED InChIKey [ChEBI] synonym: "galactarate" RELATED [UniProt] synonym: "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2+,3+,4-" RELATED InChI [ChEBI] synonym: "meso-galactarate" EXACT IUPAC_NAME [IUPAC] synonym: "O[C@@H]([C@@H](O)[C@H](O)C([O-])=O)[C@@H](O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:3909240 "Beilstein" xref: Gmelin:1065131 "Gmelin" xref: MetaCyc:D-GALACTARATE xref: Reaxys:3909240 "Reaxys" is_a: CHEBI:28965 ! dicarboxylic acid dianion is_a: CHEBI:48871 ! galactaric acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:35390 ! galactarate(1-) [Term] id: CHEBI:16551 name: alpha,alpha-trehalose namespace: chebi_ontology alt_id: CHEBI:10202 alt_id: CHEBI:12281 alt_id: CHEBI:12284 alt_id: CHEBI:12287 alt_id: CHEBI:15251 alt_id: CHEBI:22365 alt_id: CHEBI:46211 def: "A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon." [] subset: 3_STAR synonym: "(Glc)2" RELATED [KEGG_GLYCAN] synonym: "0" RELATED CHARGE [ChEBI] synonym: "342.116" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "342.29648" RELATED MASS [ChEBI] synonym: "alpha,alpha'-Trehalose" RELATED [KEGG_COMPOUND] synonym: "alpha,alpha-Trehalose" EXACT [KEGG_COMPOUND] synonym: "alpha,alpha-trehalose" EXACT [UniProt] synonym: "alpha-D-Glcp-(1<->1)-alpha-D-Glcp" RELATED [JCBN] synonym: "alpha-D-glucopyranosyl alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-glucopyranosyl-alpha-D-glucopyranoside" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-D-Trehalose" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-trehalose" RELATED [NIST_Chemistry_WebBook] synonym: "C12H22O11" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-(+)-trehalose" RELATED [NIST_Chemistry_WebBook] synonym: "ergot sugar" RELATED [NIST_Chemistry_WebBook] synonym: "HDTRYLNUVZCQOY-LIZSDCNHSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1" RELATED InChI [ChEBI] synonym: "mycose" RELATED [NIST_Chemistry_WebBook] synonym: "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "TREHALOSE" RELATED [PDBeChem] synonym: "Trehalose" RELATED [KEGG_COMPOUND] xref: Beilstein:1292766 "Beilstein" xref: CAS:99-20-7 "NIST Chemistry WebBook" xref: Gmelin:2145829 "Gmelin" xref: HMDB:HMDB00975 xref: KEGG:C01083 xref: KEGG:G00293 xref: KNApSAcK:C00001152 xref: LINCS:LSM-37121 xref: MetaCyc:TREHALOSE xref: PDBeChem:TRE xref: PMID:17439666 "Europe PMC" xref: Reaxys:1292766 "Reaxys" xref: Wikipedia:Trehalose is_a: CHEBI:27082 ! trehalose is_a: CHEBI:27084 ! trehalose phosphate relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:16567 name: anthranilate namespace: chebi_ontology alt_id: CHEBI:13841 alt_id: CHEBI:22575 def: "An aminobenzoate that is the conjugate base of anthranilic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "136.040" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "136.12808" RELATED MASS [ChEBI] synonym: "2-aminobenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "anthranilate" EXACT [UniProt] synonym: "C7H6NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "Nc1ccccc1C([O-])=O" RELATED SMILES [ChEBI] synonym: "RWZYAGGXGHYGMB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3904977 "Beilstein" xref: Gmelin:131077 "Gmelin" xref: HMDB:HMDB01123 xref: KEGG:C00108 "ChEBI" xref: MetaCyc:ANTHRANILATE xref: Reaxys:3904977 "Reaxys" xref: UM-BBD_compID:c0345 "ChEBI" is_a: CHEBI:22494 ! aminobenzoate relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30754 ! anthranilic acid [Term] id: CHEBI:16610 name: spermidine namespace: chebi_ontology alt_id: CHEBI:15095 alt_id: CHEBI:15097 alt_id: CHEBI:26732 alt_id: CHEBI:26733 alt_id: CHEBI:45647 alt_id: CHEBI:9218 def: "A triamine that is the 1,5,10-triaza derivative of decane." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,5,10-triazadecane" RELATED [ChemIDplus] synonym: "145.158" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "145.24598" RELATED MASS [ChEBI] synonym: "4-azaoctamethylenediamine" RELATED [ChemIDplus] synonym: "4-azaoctane-1,8-diamine" RELATED [IUBMB] synonym: "ATHGHQPFGPMSJY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C7H19N3" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2" RELATED InChI [ChEBI] synonym: "N-(3-Aminopropyl)-1,4-butane-diamine" RELATED [KEGG_COMPOUND] synonym: "N-(3-aminopropyl)butane-1,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "NCCCCNCCCN" RELATED SMILES [ChEBI] synonym: "Spermidin" RELATED [ChEBI] synonym: "SPERMIDINE" EXACT [PDBeChem] synonym: "Spermidine" EXACT [KEGG_COMPOUND] xref: Beilstein:1698591 "ChemIDplus" xref: CAS:124-20-9 "KEGG COMPOUND" xref: DrugBank:DB03566 xref: Gmelin:454510 "Gmelin" xref: HMDB:HMDB01257 xref: KEGG:C00315 xref: KNApSAcK:C00001431 xref: LINCS:LSM-37075 xref: MetaCyc:SPERMIDINE xref: PDBeChem:SPD xref: PMID:22770225 "Europe PMC" xref: Reaxys:1698591 "Reaxys" xref: Wikipedia:Spermidine is_a: CHEBI:38751 ! triamine is_a: CHEBI:39474 ! polyazaalkane relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:57834 ! spermidine(3+) [Term] id: CHEBI:16643 name: L-methionine namespace: chebi_ontology alt_id: CHEBI:13141 alt_id: CHEBI:21360 alt_id: CHEBI:43990 alt_id: CHEBI:6271 def: "The L-enantiomer of methionine." [] subset: 3_STAR synonym: "(2S)-2-amino-4-(methylsulfanyl)butanoic acid" RELATED [IUPAC] synonym: "(S)-2-amino-4-(methylthio)butanoic acid" RELATED [ChemIDplus] synonym: "(S)-2-amino-4-(methylthio)butyric acid" RELATED [ChemIDplus] synonym: "(S)-methionine" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "149.051" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "149.21238" RELATED MASS [ChEBI] synonym: "C5H11NO2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "CSCC[C@H](N)C(O)=O" RELATED SMILES [ChEBI] synonym: "FFEARJCKVFRZRR-BYPYZUCNSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-(-)-methionine" RELATED [NIST_Chemistry_WebBook] synonym: "L-alpha-amino-gamma-methylmercaptobutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Methionin" RELATED [ChEBI] synonym: "L-Methionine" EXACT [KEGG_COMPOUND] synonym: "L-methionine" EXACT IUPAC_NAME [IUPAC] synonym: "M" RELATED [ChEBI] synonym: "Met" RELATED [ChEBI] synonym: "METHIONINE" RELATED [PDBeChem] synonym: "Methionine" RELATED [KEGG_COMPOUND] synonym: "Methionine" RELATED [KEGG_DRUG] xref: CAS:63-68-3 "KEGG COMPOUND" xref: Drug_Central:3347 "DrugCentral" xref: DrugBank:DB00134 xref: ECMDB:ECMDB00696 xref: Gmelin:26935 "Gmelin" xref: HMDB:HMDB00696 xref: KEGG:C00073 xref: KEGG:D00019 xref: KNApSAcK:C00001379 xref: MetaCyc:MET xref: PDBeChem:MET_LFOH xref: PMID:16575097 "Europe PMC" xref: PMID:21683740 "Europe PMC" xref: PMID:21946918 "Europe PMC" xref: PMID:22200379 "Europe PMC" xref: PMID:22370952 "Europe PMC" xref: PMID:22448874 "Europe PMC" xref: PMID:22517898 "Europe PMC" xref: PMID:24126240 "Europe PMC" xref: PMID:24939187 "Europe PMC" xref: PMID:5764336 "Europe PMC" xref: Reaxys:1722294 "Reaxys" xref: YMDB:YMDB00318 is_a: CHEBI:16811 ! methionine is_a: CHEBI:22658 ! aspartate family amino acid relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:74529 ! antidote to paracetamol poisoning relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32631 ! L-methioninate relationship: is_conjugate_base_of CHEBI:32632 ! L-methioninium relationship: is_enantiomer_of CHEBI:16867 ! D-methionine relationship: is_tautomer_of CHEBI:57844 ! L-methionine zwitterion [Term] id: CHEBI:16646 name: carbohydrate namespace: chebi_ontology alt_id: CHEBI:15131 alt_id: CHEBI:23008 alt_id: CHEBI:9318 def: "Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates." [] subset: 3_STAR synonym: "carbohidrato" RELATED [IUPAC] synonym: "carbohidratos" RELATED [IUPAC] synonym: "carbohydrate" EXACT IUPAC_NAME [IUPAC] synonym: "carbohydrates" EXACT IUPAC_NAME [IUPAC] synonym: "glucide" RELATED [ChEBI] synonym: "glucides" RELATED [ChEBI] synonym: "glucido" RELATED [ChEBI] synonym: "glucidos" RELATED [ChEBI] synonym: "hydrates de carbone" RELATED [ChEBI] synonym: "Kohlenhydrat" RELATED [ChEBI] synonym: "Kohlenhydrate" RELATED [ChEBI] synonym: "saccharide" RELATED [IUPAC] synonym: "saccharides" RELATED [IUPAC] synonym: "saccharidum" RELATED [ChEBI] xref: Wikipedia:Carbohydrate is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16647 name: L-fuculose 1-phosphate namespace: chebi_ontology alt_id: CHEBI:13104 alt_id: CHEBI:13105 alt_id: CHEBI:21296 def: "The 1-O-phospho derivative of L-fuculose." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "244.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "244.13638" RELATED MASS [ChEBI] synonym: "6-deoxy-1-O-phosphono-L-tagatose" RELATED [IUPAC] synonym: "6-deoxy-L-lyxo-hex-2-ulose 1-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "6-deoxy-L-tagatose 1-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "C6H13O8P" RELATED FORMULA [ChEBI] synonym: "C[C@H](O)[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5+,6-/m0/s1" RELATED InChI [ChEBI] synonym: "KNYGWWDTPGSEPD-LFRDXLMFSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1881578 "Beilstein" xref: KEGG:C01099 xref: KNApSAcK:C00019651 is_a: CHEBI:24964 ! deoxyketohexose phosphate relationship: has_functional_parent CHEBI:17617 ! L-fuculose relationship: is_conjugate_acid_of CHEBI:57846 ! L-fuculose 1-phosphate(2-) [Term] id: CHEBI:16651 name: (S)-lactate namespace: chebi_ontology alt_id: CHEBI:11065 alt_id: CHEBI:12411 alt_id: CHEBI:18783 def: "An optically active form of lactate having (S)-configuration." [] subset: 3_STAR synonym: "(+)-lactate" RELATED [ChEBI] synonym: "(2S)-2-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-lactate" EXACT [UniProt] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "89.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "89.07000" RELATED MASS [ChEBI] synonym: "C3H5O3" RELATED FORMULA [ChEBI] synonym: "C[C@H](O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "JVTAAEKCZFNVCJ-REOHCLBHSA-M" RELATED InChIKey [ChEBI] synonym: "L(+)-lactate" RELATED [ChEBI] synonym: "L-(+)-lactate" RELATED [ChEBI] synonym: "L-lactate" RELATED [UM-BBD] xref: Beilstein:4655977 "Beilstein" xref: Gmelin:324523 "Gmelin" xref: KEGG:C00186 "ChEBI" xref: MetaCyc:L-LACTATE xref: Reaxys:4655977 "Reaxys" xref: UM-BBD_compID:c0152 "ChEBI" is_a: CHEBI:24996 ! lactate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:422 ! (S)-lactic acid relationship: is_enantiomer_of CHEBI:16004 ! (R)-lactate [Term] id: CHEBI:16659 name: D-glycerate namespace: chebi_ontology alt_id: CHEBI:10999 alt_id: CHEBI:12985 alt_id: CHEBI:21027 def: "A glycerate that is the conjugate base of D-glyceric acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2R)-2,3-dihydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-glycerate" RELATED [HMDB] synonym: "(R)-glycerate anion" RELATED [ChEBI] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "105.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "105.06940" RELATED MASS [ChEBI] synonym: "alpha,beta-Hydroxypropionate" RELATED [HMDB] synonym: "C3H5O4" RELATED FORMULA [ChEBI] synonym: "D-glycerate" EXACT [UniProt] synonym: "InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@@H](O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "RBNPOMFGQQGHHO-UWTATZPHSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:6114954 "Beilstein" xref: Gmelin:1146853 "Gmelin" xref: HMDB:HMDB00139 xref: KEGG:C00258 "ChEBI" xref: MetaCyc:GLYCERATE xref: Reaxys:6114954 "Reaxys" is_a: CHEBI:33871 ! glycerate relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_base_of CHEBI:32398 ! D-glyceric acid [Term] id: CHEBI:16670 name: peptide namespace: chebi_ontology alt_id: CHEBI:14753 alt_id: CHEBI:25906 alt_id: CHEBI:7990 def: "Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc." [] subset: 3_STAR synonym: "(C2H2NOR)nC2H3NOR" RELATED FORMULA [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "Peptid" RELATED [ChEBI] synonym: "Peptide" EXACT [KEGG_COMPOUND] synonym: "peptides" EXACT IUPAC_NAME [IUPAC] synonym: "peptido" RELATED [ChEBI] synonym: "peptidos" RELATED [ChEBI] xref: KEGG:C00012 is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:50047 ! organic amino compound relationship: has_part CHEBI:33708 ! amino-acid residue relationship: is_tautomer_of CHEBI:60466 ! peptide zwitterion [Term] id: CHEBI:16695 name: UMP namespace: chebi_ontology alt_id: CHEBI:13508 alt_id: CHEBI:13509 alt_id: CHEBI:27231 alt_id: CHEBI:46362 alt_id: CHEBI:46382 alt_id: CHEBI:47721 alt_id: CHEBI:9849 def: "A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "324.036" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "324.18136" RELATED MASS [ChEBI] synonym: "5'-UMP" RELATED [ChemIDplus] synonym: "5'-uridylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5'Uridylic acid" RELATED [KEGG_COMPOUND] synonym: "C9H13N2O9P" RELATED FORMULA [KEGG_COMPOUND] synonym: "DJJCXFVJDGTHFX-XVFCMESISA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" RELATED SMILES [ChEBI] synonym: "pU" RELATED [CBN] synonym: "pU" RELATED [ChEBI] synonym: "UMP" EXACT [KEGG_COMPOUND] synonym: "uridine 5'-(dihydrogen phosphate)" RELATED [ChemIDplus] synonym: "Uridine 5'-monophosphate" RELATED [KEGG_COMPOUND] synonym: "uridine 5'-phosphate" RELATED [ChemIDplus] synonym: "uridine 5'-phosphoric acid" RELATED [ChemIDplus] synonym: "Uridine monophosphate" RELATED [KEGG_COMPOUND] synonym: "URIDINE-5'-MONOPHOSPHATE" RELATED [PDBeChem] synonym: "uridylate" RELATED [ChEBI] synonym: "Uridylic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:47486 "Beilstein" xref: CAS:58-97-9 "ChemIDplus" xref: DrugBank:DB03685 xref: Gmelin:310455 "Gmelin" xref: HMDB:HMDB00288 xref: KEGG:C00105 xref: KNApSAcK:C00007311 xref: MetaCyc:UMP xref: PDBeChem:U5PrF10 xref: PDBeChem:UrF10 xref: PMID:22735334 "Europe PMC" xref: PMID:2559771 "Europe PMC" xref: Reaxys:47486 "Reaxys" xref: Wikipedia:Uridine_monophosphate is_a: CHEBI:27232 ! uridine 5'-phosphate is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:57865 ! UMP(2-) [Term] id: CHEBI:16701 name: nucleoside 5'-phosphate namespace: chebi_ontology alt_id: CHEBI:14674 alt_id: CHEBI:25603 alt_id: CHEBI:7650 def: "A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "196.014" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "196.09510" RELATED MASS [ChEBI] synonym: "C5H9O6PR2" RELATED FORMULA [ChEBI] synonym: "Nucleoside 5'-phosphate" EXACT [KEGG_COMPOUND] synonym: "nucleoside 5'-phosphates" RELATED [ChEBI] synonym: "O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP(O)(O)=O" RELATED SMILES [ChEBI] xref: KEGG:C01117 is_a: CHEBI:29075 ! mononucleotide relationship: is_conjugate_acid_of CHEBI:57867 ! nucleoside 5'-phosphate dianion [Term] id: CHEBI:16705 name: 6-aminopenicillanic acid namespace: chebi_ontology alt_id: CHEBI:20705 alt_id: CHEBI:2172 def: "A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics." [] subset: 3_STAR synonym: "(+)-6-aminopenicillanic acid" RELATED [ChEBI] synonym: "(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "216.057" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "216.25856" RELATED MASS [ChEBI] synonym: "6-amino-2,2-dimethylpenam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "6-Aminopenicillamine acid" RELATED [ChemIDplus] synonym: "6-Aminopenicillanate" RELATED [KEGG_COMPOUND] synonym: "6-Aminopenicillanic acid" EXACT [KEGG_COMPOUND] synonym: "6-APA" RELATED [ChEBI] synonym: "6-Apa" RELATED [ChemIDplus] synonym: "6-Aps" RELATED [ChemIDplus] synonym: "6beta-aminopenicillanic acid" RELATED [ChEBI] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N)C(O)=O" RELATED SMILES [ChEBI] synonym: "Aminopenicillanic acid" RELATED [ChemIDplus] synonym: "C8H12N2O3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1" RELATED InChI [ChEBI] synonym: "NGHVIOIJCVXTGV-ALEPSDHESA-N" RELATED InChIKey [ChEBI] synonym: "Penicin" RELATED [ChemIDplus] synonym: "Penin" RELATED [ChemIDplus] synonym: "Phenacyl 6-aminopenicillinate" RELATED [ChemIDplus] xref: Beilstein:15080 "Beilstein" xref: Beilstein:959078 "Beilstein" xref: CAS:551-16-6 "KEGG COMPOUND" xref: Gmelin:1876702 "Gmelin" xref: KEGG:C02954 xref: Patent:US2941995 xref: PDBeChem:X1E xref: PMID:12569987 "Europe PMC" xref: PMID:1384868 "Europe PMC" xref: PMID:14687482 "Europe PMC" xref: PMID:1701026 "Europe PMC" xref: PMID:20970923 "Europe PMC" xref: PMID:21614893 "Europe PMC" xref: PMID:24293403 "Europe PMC" xref: PMID:24389703 "Europe PMC" xref: PMID:24631718 "Europe PMC" xref: PMID:25057428 "Europe PMC" xref: PMID:26852849 "Europe PMC" xref: PMID:26986755 "Europe PMC" xref: PMID:6166603 "Europe PMC" xref: Reaxys:15080 "Reaxys" xref: Wikipedia:6-APA is_a: CHEBI:25865 ! penicillanic acids relationship: has_functional_parent CHEBI:37806 ! penicillanic acid relationship: is_conjugate_base_of CHEBI:30938 ! 6-aminopenicillanate relationship: is_tautomer_of CHEBI:57869 ! 6-aminopenicillanic acid zwitterion [Term] id: CHEBI:16708 name: adenine namespace: chebi_ontology alt_id: CHEBI:13733 alt_id: CHEBI:22236 alt_id: CHEBI:2470 alt_id: CHEBI:40579 def: "The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "135.054" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "135.12690" RELATED MASS [ChEBI] synonym: "6-Aminopurine" RELATED [KEGG_COMPOUND] synonym: "9H-purin-6-amine" EXACT IUPAC_NAME [IUPAC] synonym: "A" RELATED [ChEBI] synonym: "Ade" RELATED [CBN] synonym: "Adenin" RELATED [NIST_Chemistry_WebBook] synonym: "ADENINE" EXACT [PDBeChem] synonym: "Adenine" EXACT [KEGG_COMPOUND] synonym: "adenine" EXACT [UniProt] synonym: "C5H5N5" RELATED FORMULA [KEGG_COMPOUND] synonym: "GFFGJBXGBJISGV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)" RELATED InChI [ChEBI] synonym: "Nc1ncnc2[nH]cnc12" RELATED SMILES [ChEBI] xref: Beilstein:608603 "Beilstein" xref: CAS:73-24-5 "ChemIDplus" xref: colombos:ADENINE xref: Drug_Central:89 "DrugCentral" xref: DrugBank:DB00173 xref: Gmelin:3903 "Gmelin" xref: HMDB:HMDB00034 xref: KEGG:C00147 xref: KEGG:D00034 xref: KNApSAcK:C00001490 xref: MetaCyc:ADENINE xref: PDBeChem:ADE xref: PMID:17439666 "Europe PMC" xref: PMID:8070089 "Europe PMC" xref: Reaxys:608603 "Reaxys" xref: Wikipedia:Adenine is_a: CHEBI:20706 ! 6-aminopurines is_a: CHEBI:26386 ! purine nucleobase relationship: has_parent_hydride CHEBI:35589 ! 9H-purine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite [Term] id: CHEBI:16716 name: benzene namespace: chebi_ontology alt_id: CHEBI:13876 alt_id: CHEBI:22703 alt_id: CHEBI:3025 alt_id: CHEBI:41187 def: "A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "78.047" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "78.11184" RELATED MASS [ChEBI] synonym: "[6]annulene" RELATED [NIST_Chemistry_WebBook] synonym: "Benzen" RELATED [IUPAC] synonym: "BENZENE" EXACT [PDBeChem] synonym: "Benzene" EXACT [KEGG_COMPOUND] synonym: "benzene" EXACT IUPAC_NAME [IUPAC] synonym: "benzene" EXACT [UniProt] synonym: "benzene" EXACT [ChEBI] synonym: "Benzine" RELATED [UM-BBD] synonym: "Benzol" RELATED [ChemIDplus] synonym: "benzole" RELATED [NIST_Chemistry_WebBook] synonym: "Bicarburet of hydrogen" RELATED [ChemIDplus] synonym: "c1ccccc1" RELATED SMILES [ChEBI] synonym: "C6H6" RELATED FORMULA [KEGG_COMPOUND] synonym: "Coal naphtha" RELATED [ChemIDplus] synonym: "cyclohexatriene" RELATED [UM-BBD] synonym: "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" RELATED InChI [ChEBI] synonym: "Mineral naphtha" RELATED [ChemIDplus] synonym: "Phene" RELATED [ChemIDplus] synonym: "phenyl hydride" RELATED [UM-BBD] synonym: "Pyrobenzol" RELATED [ChemIDplus] synonym: "Pyrobenzole" RELATED [ChemIDplus] synonym: "UHOVQNZJYSORNB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:969212 "Beilstein" xref: CAS:71-43-2 "KEGG COMPOUND" xref: Gmelin:1671 "Gmelin" xref: HMDB:HMDB01505 xref: KEGG:C01407 xref: PDBeChem:BNZ xref: PMID:11684179 "Europe PMC" xref: PMID:11993966 "Europe PMC" xref: PMID:12857942 "Europe PMC" xref: PMID:14677922 "Europe PMC" xref: PMID:15468289 "Europe PMC" xref: PMID:15935818 "Europe PMC" xref: PMID:16161967 "Europe PMC" xref: PMID:17373369 "Europe PMC" xref: PMID:18072742 "Europe PMC" xref: PMID:18407866 "Europe PMC" xref: PMID:18409691 "Europe PMC" xref: PMID:18836923 "Europe PMC" xref: PMID:19228219 "Europe PMC" xref: PMID:21325737 "Europe PMC" xref: PMID:23088855 "Europe PMC" xref: PMID:23222815 "Europe PMC" xref: PMID:23534829 "Europe PMC" xref: PMID:6353911 "Europe PMC" xref: PMID:8124204 "Europe PMC" xref: Reaxys:969212 "Reaxys" xref: UM-BBD_compID:c0142 "UM-BBD" xref: Wikipedia:Benzene is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33842 ! aromatic annulene relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:16733 name: D-alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:12909 alt_id: CHEBI:13625 alt_id: CHEBI:20906 alt_id: CHEBI:4097 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "74.05870" RELATED MASS [ChEBI] synonym: "C2H4NO2R" RELATED FORMULA [ChEBI] synonym: "C2H4NO2R" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-alpha-amino acid" EXACT [ChEBI] synonym: "D-alpha-amino acids" EXACT IUPAC_NAME [IUPAC] synonym: "D-alpha-amino acids" RELATED [ChEBI] synonym: "D-Amino acid" RELATED [KEGG_COMPOUND] synonym: "N[C@H]([*])C(O)=O" RELATED SMILES [ChEBI] xref: KEGG:C00405 is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid relationship: is_conjugate_acid_of CHEBI:60895 ! D-alpha-amino acid anion relationship: is_tautomer_of CHEBI:59871 ! D-alpha-amino acid zwitterion [Term] id: CHEBI:16755 name: chenodeoxycholic acid namespace: chebi_ontology alt_id: CHEBI:23094 alt_id: CHEBI:3588 alt_id: CHEBI:3593 def: "A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "392.293" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "392.57200" RELATED MASS [ChEBI] synonym: "3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,7alpha-Dihydroxy-5beta-cholanic acid" RELATED [KEGG_COMPOUND] synonym: "7alpha-hydroxylithocholic acid" RELATED [ChemIDplus] synonym: "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O" RELATED SMILES [ChEBI] synonym: "anthropodeoxycholic acid" RELATED [ChemIDplus] synonym: "anthropodesoxycholic acid" RELATED [ChemIDplus] synonym: "C24H40O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "CDCA" RELATED [IUPHAR] synonym: "chenic acid" RELATED [ChemIDplus] synonym: "Chenix" RELATED [ChemIDplus] synonym: "Chenodeoxycholic acid" EXACT [KEGG_COMPOUND] synonym: "Chenodiol" RELATED [KEGG_COMPOUND] synonym: "gallodesoxycholic acid" RELATED [ChemIDplus] synonym: "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "RUDATBOHQWOJDD-BSWAIDMHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:3219887 "Beilstein" xref: CAS:474-25-9 "KEGG COMPOUND" xref: Drug_Central:4361 "DrugCentral" xref: DrugBank:DB06777 xref: HMDB:HMDB00518 xref: KEGG:C02528 xref: KEGG:D00163 xref: LINCS:LSM-5353 xref: LIPID_MAPS_instance:LMST04010032 "LIPID MAPS" xref: PDBeChem:JN3 xref: PMID:11530998 "Europe PMC" xref: PMID:16037564 "Europe PMC" xref: PMID:24448653 "Europe PMC" xref: PMID:24464484 "Europe PMC" xref: Reaxys:3219887 "Reaxys" xref: Wikipedia:Chenodiol is_a: CHEBI:131620 ! C24-steroid is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid is_a: CHEBI:3098 ! bile acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:36234 ! chenodeoxycholate [Term] id: CHEBI:16761 name: ADP namespace: chebi_ontology alt_id: CHEBI:13222 alt_id: CHEBI:22244 alt_id: CHEBI:2342 alt_id: CHEBI:40553 def: "A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "427.029" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "427.20110" RELATED MASS [ChEBI] synonym: "5'-adenylphosphoric acid" RELATED [ChemIDplus] synonym: "adenosine 5'-(trihydrogen diphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "Adenosine 5'-diphosphate" RELATED [KEGG_COMPOUND] synonym: "ADENOSINE-5'-DIPHOSPHATE" RELATED [PDBeChem] synonym: "ADP" EXACT [KEGG_COMPOUND] synonym: "C10H15N5O10P2" RELATED FORMULA [KEGG_COMPOUND] synonym: "H3adp" RELATED [IUPAC] synonym: "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "XTWYTFMLZFPYCI-KQYNXXCUSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:67722 "Beilstein" xref: CAS:20398-34-9 "KEGG COMPOUND" xref: CAS:58-64-0 "KEGG COMPOUND" xref: COMe:MOL000173 xref: DrugBank:DB03431 xref: Gmelin:88452 "Gmelin" xref: KEGG:C00008 xref: KEGG:G11113 xref: KNApSAcK:C00019353 xref: PDBeChem:ADP xref: PMID:16295522 "Europe PMC" xref: Reaxys:67722 "Reaxys" is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate is_a: CHEBI:37096 ! adenosine 5'-phosphate relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:456216 ! ADP(3-) relationship: is_conjugate_acid_of CHEBI:87518 ! ADP(2-) [Term] id: CHEBI:16793 name: mercury(2+) namespace: chebi_ontology alt_id: CHEBI:13370 alt_id: CHEBI:25199 alt_id: CHEBI:25200 alt_id: CHEBI:49640 alt_id: CHEBI:5714 subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "200.59000" RELATED MASS [ChEBI] synonym: "201.971" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Hg++]" RELATED SMILES [ChEBI] synonym: "BQPIGGFYSBELGY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Hg" RELATED FORMULA [KEGG_COMPOUND] synonym: "Hg(2+)" RELATED [UniProt] synonym: "Hg(2+)" RELATED [IUPAC] synonym: "Hg2+" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/Hg/q+2" RELATED InChI [ChEBI] synonym: "Mercuric ion" RELATED [KEGG_COMPOUND] synonym: "mercuric ion" RELATED [ChEBI] synonym: "MERCURY (II) ION" RELATED [PDBeChem] synonym: "mercury(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "mercury(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "mercury(2+) ion" RELATED [ChEBI] synonym: "mercury(II)" RELATED [ChEBI] synonym: "mercury(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "mercury(II) cation" RELATED [ChEBI] xref: KEGG:C00703 xref: PDBeChem:HG xref: UM-BBD_compID:c0096 "ChEBI" is_a: CHEBI:25197 ! mercury cation is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:16811 name: methionine namespace: chebi_ontology alt_id: CHEBI:14590 alt_id: CHEBI:25229 alt_id: CHEBI:6829 def: "A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "149.051" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "149.21238" RELATED MASS [ChEBI] synonym: "2-amino-4-(methylsulfanyl)butanoic acid" RELATED [IUPAC] synonym: "2-amino-4-(methylthio)butanoic acid" RELATED [JCBN] synonym: "2-Amino-4-(methylthio)butyric acid" RELATED [KEGG_COMPOUND] synonym: "alpha-amino-gamma-methylmercaptobutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "C5H11NO2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "CSCCC(N)C(O)=O" RELATED SMILES [ChEBI] synonym: "DL-Methionine" RELATED [KEGG_DRUG] synonym: "FFEARJCKVFRZRR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Hmet" RELATED [IUPAC] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" RELATED InChI [ChEBI] synonym: "M" RELATED [ChEBI] synonym: "Met" RELATED [ChEBI] synonym: "Methionin" RELATED [ChEBI] synonym: "Methionine" EXACT [KEGG_COMPOUND] synonym: "methionine" EXACT IUPAC_NAME [IUPAC] synonym: "methionine" EXACT [ChEBI] synonym: "metionina" RELATED [ChEBI] synonym: "Racemethionine" RELATED [KEGG_DRUG] xref: Beilstein:636185 "Beilstein" xref: CAS:59-51-8 "KEGG COMPOUND" xref: colombos:METHIONINE xref: Gmelin:3117 "Gmelin" xref: KEGG:C01733 xref: KEGG:D04983 xref: PMID:16702333 "Europe PMC" xref: PMID:22264337 "Europe PMC" xref: PMID:2543976 "Europe PMC" xref: Reaxys:636185 "Reaxys" xref: UM-BBD_compID:c0094 "UM-BBD" xref: Wikipedia:Methionine is_a: CHEBI:26834 ! sulfur-containing amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32644 ! methioninate relationship: is_conjugate_base_of CHEBI:32646 ! methioninium relationship: is_tautomer_of CHEBI:64558 ! methionine zwitterion [Term] id: CHEBI:16828 name: L-tryptophan namespace: chebi_ontology alt_id: CHEBI:13178 alt_id: CHEBI:184633 alt_id: CHEBI:21407 alt_id: CHEBI:45988 alt_id: CHEBI:46086 alt_id: CHEBI:46125 alt_id: CHEBI:46225 alt_id: CHEBI:6310 def: "The L-enantiomer of tryptophan." [] subset: 3_STAR synonym: "(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid" RELATED [IUPAC] synonym: "(S)-alpha-amino-1H-indole-3-propanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-alpha-Amino-beta-(3-indolyl)-propionic acid" RELATED [KEGG_COMPOUND] synonym: "(S)-tryptophan" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "204.090" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "204.22526" RELATED MASS [ChEBI] synonym: "C11H12N2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1" RELATED InChI [ChEBI] synonym: "L-(-)-tryptophan" RELATED [NIST_Chemistry_WebBook] synonym: "L-beta-3-indolylalanine" RELATED [NIST_Chemistry_WebBook] synonym: "L-Tryptophan" EXACT [KEGG_COMPOUND] synonym: "L-tryptophan" EXACT IUPAC_NAME [IUPAC] synonym: "L-tryptophan" EXACT [ChEBI] synonym: "N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O" RELATED SMILES [ChEBI] synonym: "QIVBCDIJIAJPQS-VIFPVBQESA-N" RELATED InChIKey [ChEBI] synonym: "Trp" RELATED [ChEBI] synonym: "TRYPTOPHAN" RELATED [PDBeChem] synonym: "Tryptophan" RELATED [KEGG_COMPOUND] synonym: "tryptophan" RELATED INN [KEGG_DRUG] synonym: "W" RELATED [ChEBI] xref: Beilstein:86197 "Beilstein" xref: CAS:73-22-3 "KEGG COMPOUND" xref: Drug_Central:2780 "DrugCentral" xref: DrugBank:DB00150 xref: ECMDB:ECMDB00929 xref: Gmelin:51434 "Gmelin" xref: HMDB:HMDB00929 xref: KEGG:C00078 xref: KEGG:D00020 xref: KNApSAcK:C00001396 xref: MetaCyc:TRP xref: PDBeChem:TRP xref: PMID:11395471 "Europe PMC" xref: PMID:11750787 "Europe PMC" xref: PMID:11888576 "Europe PMC" xref: PMID:12766158 "Europe PMC" xref: PMID:12830226 "Europe PMC" xref: PMID:12871129 "Europe PMC" xref: PMID:15206750 "Europe PMC" xref: PMID:16740930 "Europe PMC" xref: PMID:16934873 "Europe PMC" xref: PMID:17127472 "Europe PMC" xref: PMID:17177562 "Europe PMC" xref: PMID:17430113 "Europe PMC" xref: PMID:17585690 "Europe PMC" xref: PMID:17690425 "Europe PMC" xref: PMID:17826001 "Europe PMC" xref: PMID:18234569 "Europe PMC" xref: PMID:18419734 "Europe PMC" xref: PMID:18949702 "Europe PMC" xref: PMID:19896323 "Europe PMC" xref: PMID:21856896 "Europe PMC" xref: PMID:22071091 "Europe PMC" xref: PMID:22162421 "Europe PMC" xref: PMID:22299628 "Europe PMC" xref: PMID:22386992 "Europe PMC" xref: PMID:22402312 "Europe PMC" xref: PMID:22415302 "Europe PMC" xref: PMID:22415306 "Europe PMC" xref: PMID:2917974 "Europe PMC" xref: Reaxys:86197 "Reaxys" xref: Wikipedia:Tryptophan xref: YMDB:YMDB00126 is_a: CHEBI:27897 ! tryptophan is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32702 ! L-tryptophanate relationship: is_conjugate_base_of CHEBI:32704 ! L-tryptophanium relationship: is_enantiomer_of CHEBI:16296 ! D-tryptophan relationship: is_tautomer_of CHEBI:57912 ! L-tryptophan zwitterion [Term] id: CHEBI:16856 name: glutathione namespace: chebi_ontology alt_id: CHEBI:12402 alt_id: CHEBI:14327 alt_id: CHEBI:24334 alt_id: CHEBI:42873 alt_id: CHEBI:43049 alt_id: CHEBI:5437 def: "A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "307.084" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "307.32300" RELATED MASS [ChEBI] synonym: "5-L-Glutamyl-L-cysteinylglycine" RELATED [KEGG_COMPOUND] synonym: "C10H17N3O6S" RELATED FORMULA [KEGG_COMPOUND] synonym: "gamma-L-Glutamyl-L-cysteinyl-glycine" RELATED [KEGG_COMPOUND] synonym: "Glutathione" EXACT [KEGG_COMPOUND] synonym: "Glutathione-SH" RELATED [HMDB] synonym: "GSH" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1" RELATED InChI [ChEBI] synonym: "L-gamma-glutamyl-L-cysteinylglycine" EXACT IUPAC_NAME [IUPAC] synonym: "N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine" RELATED [KEGG_COMPOUND] synonym: "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "Reduced glutathione" RELATED [KEGG_COMPOUND] synonym: "RWSXRVCMGQZWBV-WDSKDSINSA-N" RELATED InChIKey [ChEBI] xref: CAS:70-18-8 "ChemIDplus" xref: Drug_Central:1312 "DrugCentral" xref: DrugBank:DB00143 xref: HMDB:HMDB00125 xref: KEGG:C00051 xref: KEGG:D00014 xref: KNApSAcK:C00001518 xref: MetaCyc:GLUTATHIONE xref: PDBeChem:GSH xref: PMID:17439666 "Europe PMC" xref: PMID:4200890 "Europe PMC" xref: PMID:4745654 "Europe PMC" xref: Reaxys:1729812 "Reaxys" xref: Wikipedia:Glutathione is_a: CHEBI:29256 ! thiol is_a: CHEBI:47923 ! tripeptide is_a: CHEBI:83824 ! L-cysteine derivative relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:85046 ! skin lightening agent relationship: is_conjugate_acid_of CHEBI:57925 ! glutathionate(1-) [Term] id: CHEBI:16857 name: L-threonine namespace: chebi_ontology alt_id: CHEBI:13175 alt_id: CHEBI:21403 alt_id: CHEBI:42083 alt_id: CHEBI:45843 alt_id: CHEBI:45983 alt_id: CHEBI:6308 def: "An optically active form of threonine having L-configuration." [] subset: 3_STAR synonym: "(2S)-threonine" RELATED [ChemIDplus] synonym: "(2S,3R)-(-)-Threonine" RELATED [HMDB] synonym: "(2S,3R)-2-amino-3-hydroxybutanoic acid" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "119.058" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "119.11920" RELATED MASS [ChEBI] synonym: "2-Amino-3-hydroxybutyric acid" RELATED [KEGG_COMPOUND] synonym: "AYFVYJQAPQTCCC-GBXIJSLDSA-N" RELATED InChIKey [ChEBI] synonym: "C4H9NO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@@H](O)[C@H](N)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1" RELATED InChI [ChEBI] synonym: "L-(-)-Threonine" RELATED [DrugBank] synonym: "L-2-Amino-3-hydroxybutyric acid" RELATED [HMDB] synonym: "L-alpha-amino-beta-hydroxybutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Threonin" RELATED [ChEBI] synonym: "L-Threonine" EXACT [KEGG_COMPOUND] synonym: "L-threonine" EXACT IUPAC_NAME [IUPAC] synonym: "T" RELATED [ChEBI] synonym: "Thr" RELATED [ChEBI] synonym: "THREONINE" RELATED [PDBeChem] xref: Beilstein:1721646 "Beilstein" xref: CAS:72-19-5 "ChemIDplus" xref: Drug_Central:4254 "DrugCentral" xref: DrugBank:DB00156 xref: ECMDB:ECMDB00167 xref: Gmelin:82510 "Gmelin" xref: HMDB:HMDB00167 xref: KEGG:C00188 xref: KEGG:D00041 xref: KNApSAcK:C00001394 xref: PDBeChem:THR xref: PMID:11964235 "Europe PMC" xref: PMID:12523390 "Europe PMC" xref: PMID:16659349 "Europe PMC" xref: PMID:17379183 "Europe PMC" xref: PMID:22289691 "Europe PMC" xref: PMID:22342587 "Europe PMC" xref: PMID:22513921 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:24671569 "Europe PMC" xref: Reaxys:1721646 "Reaxys" xref: UM-BBD_compID:c0413 "UM-BBD" xref: Wikipedia:Threonine xref: YMDB:YMDB00214 is_a: CHEBI:22658 ! aspartate family amino acid is_a: CHEBI:26986 ! threonine relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32820 ! L-threoninate relationship: is_conjugate_base_of CHEBI:32822 ! L-threoninium relationship: is_enantiomer_of CHEBI:16398 ! D-threonine relationship: is_tautomer_of CHEBI:57926 ! L-threonine zwitterion [Term] id: CHEBI:16862 name: nucleoside diphosphate namespace: chebi_ontology alt_id: CHEBI:13401 alt_id: CHEBI:13662 alt_id: CHEBI:14675 alt_id: CHEBI:25606 alt_id: CHEBI:7428 alt_id: CHEBI:7652 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "292.983" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "293.08240" RELATED MASS [ChEBI] synonym: "C5H11O10P2R" RELATED FORMULA [ChEBI] synonym: "NDP" RELATED [KEGG_COMPOUND] synonym: "Nucleoside diphosphate" EXACT [KEGG_COMPOUND] synonym: "nucleoside diphosphates" RELATED [ChEBI] synonym: "O[C@H]1[C@H]([*])O[C@H](COP(O)(=O)OP(O)(O)=O)[C@H]1O" RELATED SMILES [ChEBI] xref: KEGG:C00454 is_a: CHEBI:25608 ! nucleoside phosphate relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:57930 ! nucleoside 5'-diphosphate(3-) [Term] id: CHEBI:16867 name: D-methionine namespace: chebi_ontology alt_id: CHEBI:13005 alt_id: CHEBI:21065 alt_id: CHEBI:4215 alt_id: CHEBI:44071 def: "An optically active form of methionine having D-configuration." [] subset: 3_STAR synonym: "(2R)-2-amino-4-(methylsulfanyl)butanoic acid" RELATED [IUPAC] synonym: "(R)-2-amino-4-(methylthio)butanoic acid" RELATED [JCBN] synonym: "(R)-methionine" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "149.051" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "149.21238" RELATED MASS [ChEBI] synonym: "C5H11NO2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "CSCC[C@@H](N)C(O)=O" RELATED SMILES [ChEBI] synonym: "D-2-Amino-4-(methylthio)butyric acid" RELATED [KEGG_COMPOUND] synonym: "D-Methionin" RELATED [ChEBI] synonym: "D-METHIONINE" EXACT [PDBeChem] synonym: "D-Methionine" EXACT [KEGG_COMPOUND] synonym: "D-methionine" EXACT IUPAC_NAME [IUPAC] synonym: "FFEARJCKVFRZRR-SCSAIBSYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1" RELATED InChI [ChEBI] synonym: "MED" RELATED [PDBeChem] xref: Beilstein:1722293 "Beilstein" xref: CAS:348-67-4 "ChemIDplus" xref: DrugBank:DB02893 xref: ECMDB:ECMDB21203 xref: Gmelin:26934 "Gmelin" xref: KEGG:C00855 xref: MetaCyc:CPD-218 xref: PDBeChem:MED xref: PMID:15375647 "Europe PMC" xref: PMID:20431016 "Europe PMC" xref: PMID:20872028 "Europe PMC" xref: PMID:21480759 "Europe PMC" xref: PMID:21750343 "Europe PMC" xref: PMID:21924333 "Europe PMC" xref: PMID:22192214 "Europe PMC" xref: PMID:22304623 "Europe PMC" xref: PMID:318639 "Europe PMC" xref: Reaxys:1722293 "Reaxys" xref: YMDB:YMDB00816 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:16811 ! methionine relationship: is_conjugate_acid_of CHEBI:32637 ! D-methioninate relationship: is_conjugate_base_of CHEBI:32638 ! D-methioninium relationship: is_enantiomer_of CHEBI:16643 ! L-methionine relationship: is_tautomer_of CHEBI:57932 ! D-methionine zwitterion [Term] id: CHEBI:16890 name: glycerol monophosphate namespace: chebi_ontology alt_id: CHEBI:10649 alt_id: CHEBI:12849 alt_id: CHEBI:35141 alt_id: CHEBI:35772 subset: 3_STAR synonym: "C3H9O6P" RELATED FORMULA [KEGG_COMPOUND] synonym: "glycerol dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "glycerophosphoric acid" RELATED [ChemIDplus] synonym: "sn-Glyceryl phosphate" RELATED [KEGG_COMPOUND] xref: CAS:27082-31-1 "ChemIDplus" xref: KEGG:C03189 is_a: CHEBI:26707 ! glycerol phosphate [Term] id: CHEBI:16891 name: glyoxylic acid namespace: chebi_ontology alt_id: CHEBI:24421 alt_id: CHEBI:42767 alt_id: CHEBI:5509 def: "A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.000" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "74.03548" RELATED MASS [ChEBI] synonym: "[H]C(=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "alpha-ketoacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "C2H2O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "formylformic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Glyoxalate" RELATED [KEGG_COMPOUND] synonym: "Glyoxalsaeure" RELATED [ChEBI] synonym: "Glyoxylate" RELATED [KEGG_COMPOUND] synonym: "GLYOXYLIC ACID" EXACT [PDBeChem] synonym: "Glyoxylic acid" EXACT [KEGG_COMPOUND] synonym: "Glyoxylsaeure" RELATED [ChEBI] synonym: "HHLFWLYXYJOTON-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)" RELATED InChI [ChEBI] synonym: "oxalaldehydic acid" RELATED [ChemIDplus] synonym: "oxoacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "oxoethanoic acid" RELATED [ChemIDplus] xref: Beilstein:741891 "Beilstein" xref: CAS:298-12-4 "KEGG COMPOUND" xref: DrugBank:DB04343 xref: Gmelin:25752 "Gmelin" xref: HMDB:HMDB00119 xref: KEGG:C00048 xref: KNApSAcK:C00001186 xref: MetaCyc:GLYOX xref: PDBeChem:GLV xref: PMID:11479160 "Europe PMC" xref: PMID:16396466 "Europe PMC" xref: PMID:22580421 "Europe PMC" xref: PMID:23790896 "Europe PMC" xref: Reaxys:741891 "Reaxys" xref: Wikipedia:Glyoxylic_acid is_a: CHEBI:26643 ! aldehydic acid is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:36655 ! glyoxylate [Term] id: CHEBI:16898 name: pyrimidine namespace: chebi_ontology alt_id: CHEBI:14982 alt_id: CHEBI:44847 alt_id: CHEBI:8675 def: "The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,3-Diazin" RELATED [ChEBI] synonym: "1,3-Diazine" RELATED [KEGG_COMPOUND] synonym: "80.037" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "80.08804" RELATED MASS [ChEBI] synonym: "c1cncnc1" RELATED SMILES [ChEBI] synonym: "C4H4N2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CZPWVGJYEJSRLH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H" RELATED InChI [ChEBI] synonym: "m-diazine" RELATED [NIST_Chemistry_WebBook] synonym: "Metadiazine" RELATED [KEGG_COMPOUND] synonym: "Pyrimidin" RELATED [ChEBI] synonym: "PYRIMIDINE" EXACT [PDBeChem] synonym: "Pyrimidine" EXACT [KEGG_COMPOUND] synonym: "pyrimidine" EXACT IUPAC_NAME [IUPAC] synonym: "pyrimidine" EXACT [UniProt] synonym: "Pyrimidine base" RELATED [KEGG_COMPOUND] xref: Beilstein:103894 "Beilstein" xref: CAS:289-95-2 "KEGG COMPOUND" xref: Gmelin:49324 "Gmelin" xref: KEGG:C00396 xref: PDBeChem:P1R xref: PMID:8070089 "Europe PMC" is_a: CHEBI:38627 ! diazine is_a: CHEBI:39447 ! pyrimidines relationship: has_role CHEBI:83056 ! Daphnia magna metabolite [Term] id: CHEBI:16905 name: keto-D-fructose 1,6-bisphosphate namespace: chebi_ontology alt_id: CHEBI:12924 alt_id: CHEBI:4120 def: "A ketohexose bisphosphate that is D-fructose substituted by phosphate groups at positions 1 and 6." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,6-di-O-phosphono-D-fructose" RELATED [ChEBI] synonym: "339.996" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "340.11568" RELATED MASS [ChEBI] synonym: "[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O" RELATED SMILES [ChEBI] synonym: "C6H14O12P2" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-fructose 1,6-bis(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "D-Fructose 1,6-bisphosphate" RELATED [KEGG_COMPOUND] synonym: "D-fructose-1,6-diphosphate" RELATED [ChEBI] synonym: "fructose-1,6-diphosphate" RELATED [ChEBI] synonym: "Harden-Young ester" RELATED [HMDB] synonym: "InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1" RELATED InChI [ChEBI] synonym: "XPYBSIWDXQFNMH-UYFOZJQFSA-N" RELATED InChIKey [ChEBI] xref: CAS:488-69-7 "KEGG COMPOUND" xref: HMDB:HMDB01058 xref: KEGG:C00354 xref: MetaCyc:FRUCTOSE-16-DIPHOSPHATE xref: PMID:13150027 "Europe PMC" xref: PMID:4610358 "Europe PMC" xref: Reaxys:1729954 "Reaxys" is_a: CHEBI:78682 ! D-fructose 1,6-bisphosphate relationship: has_functional_parent CHEBI:15824 ! D-fructose relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] id: CHEBI:16914 name: salicylic acid namespace: chebi_ontology alt_id: CHEBI:26597 alt_id: CHEBI:45521 alt_id: CHEBI:9006 def: "A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "138.032" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "138.12070" RELATED MASS [ChEBI] synonym: "2-carboxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "2-HYDROXYBENZOIC ACID" RELATED [PDBeChem] synonym: "2-hydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C7H6O3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" RELATED InChI [ChEBI] synonym: "o-carboxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "o-Hydroxybenzoic acid" RELATED [KEGG_COMPOUND] synonym: "o-hydroxybenzoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "OC(=O)c1ccccc1O" RELATED SMILES [ChEBI] synonym: "Salicylic acid" EXACT [KEGG_COMPOUND] synonym: "YGSDEFSMJLZEOE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:774890 "Beilstein" xref: CAS:69-72-7 "KEGG COMPOUND" xref: Drug_Central:2416 "DrugCentral" xref: DrugBank:DB00936 xref: Gmelin:3418 "Gmelin" xref: HMDB:HMDB01895 xref: KEGG:C00805 xref: KEGG:D00097 xref: KNApSAcK:C00000206 xref: LINCS:LSM-4763 xref: MetaCyc:CPD-110 xref: PDBeChem:SAL xref: PMID:11016405 "Europe PMC" xref: PMID:12865403 "Europe PMC" xref: PMID:1650428 "Europe PMC" xref: PMID:19400653 "Europe PMC" xref: PMID:19816125 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:3425858 "Europe PMC" xref: Reaxys:774890 "Reaxys" xref: Wikipedia:Salicylic_Acid is_a: CHEBI:25389 ! monohydroxybenzoic acid relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:37848 ! plant hormone relationship: has_role CHEBI:50176 ! keratolytic drug relationship: has_role CHEBI:73181 ! EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:30762 ! salicylate [Term] id: CHEBI:16947 name: citrate(3-) namespace: chebi_ontology alt_id: CHEBI:13999 alt_id: CHEBI:23321 alt_id: CHEBI:42563 def: "A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "189.004" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "189.09970" RELATED MASS [ChEBI] synonym: "2-hydroxy-1,2,3-propanetricarboxylate" RELATED [ChEBI] synonym: "2-hydroxy-1,2,3-propanetricarboxylate(3-)" RELATED [ChemIDplus] synonym: "2-hydroxy-1,2,3-propanetricarboxylic acid, ion(3-)" RELATED [ChemIDplus] synonym: "2-hydroxypropane-1,2,3-tricarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "2-hydroxytricarballylate" RELATED [ChEBI] synonym: "C6H5O7" RELATED FORMULA [ChEBI] synonym: "cit" RELATED [IUPAC] synonym: "cit(3-)" RELATED [ChEBI] synonym: "citrate" RELATED [UniProt] synonym: "CITRATE ANION" RELATED [PDBeChem] synonym: "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3" RELATED InChI [ChEBI] synonym: "KRKNYBCHXYNGOX-UHFFFAOYSA-K" RELATED InChIKey [ChEBI] synonym: "OC(CC([O-])=O)(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:1884707 "Beilstein" xref: CAS:126-44-3 "ChemIDplus" xref: Gmelin:4239 "Gmelin" xref: KEGG:C00158 "ChEBI" xref: PDBeChem:FLC xref: Reaxys:1884707 "Reaxys" is_a: CHEBI:133748 ! citrate anion is_a: CHEBI:27092 ! tricarboxylic acid trianion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:132362 ! citrate(4-) relationship: is_conjugate_base_of CHEBI:35808 ! citrate(2-) [Term] id: CHEBI:16958 name: beta-alanine namespace: chebi_ontology alt_id: CHEBI:10343 alt_id: CHEBI:12389 alt_id: CHEBI:22821 alt_id: CHEBI:41050 def: "A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3-aminopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-aminopropanoic acid" RELATED [ChEBI] synonym: "3-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "89.048" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "89.09322" RELATED MASS [ChEBI] synonym: "bAla" RELATED [ChEBI] synonym: "BETA-ALANINE" EXACT [PDBeChem] synonym: "beta-Alanine" EXACT [KEGG_COMPOUND] synonym: "beta-alanine" EXACT IUPAC_NAME [IUPAC] synonym: "beta-aminopropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "C3H7NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "H-beta-Ala-OH" RELATED [ChEBI] synonym: "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" RELATED InChI [ChEBI] synonym: "NCCC(O)=O" RELATED SMILES [ChEBI] synonym: "omega-aminopropionic acid" RELATED [ChEBI] synonym: "UCMIRNVEIXFBKS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:906793 "Beilstein" xref: CAS:107-95-9 "KEGG COMPOUND" xref: DrugBank:DB03107 xref: Gmelin:49614 "Gmelin" xref: HMDB:HMDB00056 xref: KEGG:C00099 xref: KEGG:D07561 xref: KNApSAcK:C00001333 xref: MetaCyc:B-ALANINE xref: PDBeChem:BAL xref: PMID:11139233 "Europe PMC" xref: PMID:11850512 "Europe PMC" xref: PMID:12107759 "Europe PMC" xref: PMID:12887142 "Europe PMC" xref: PMID:14363188 "Europe PMC" xref: PMID:16934791 "Europe PMC" xref: PMID:18528519 "Europe PMC" xref: PMID:18613640 "Europe PMC" xref: PMID:19239140 "Europe PMC" xref: PMID:19955842 "Europe PMC" xref: PMID:20199122 "Europe PMC" xref: PMID:20386120 "Europe PMC" xref: PMID:20479615 "Europe PMC" xref: PMID:20994958 "Europe PMC" xref: PMID:22735334 "Europe PMC" xref: Reaxys:906793 "Reaxys" xref: Wikipedia:Beta-Alanine is_a: CHEBI:33706 ! beta-amino acid relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:35222 ! inhibitor relationship: has_role CHEBI:48705 ! agonist relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:63070 ! beta-alaninate relationship: is_tautomer_of CHEBI:57966 ! beta-alanine zwitterion [Term] id: CHEBI:16976 name: hygromycin B namespace: chebi_ontology alt_id: CHEBI:14426 alt_id: CHEBI:24752 alt_id: CHEBI:43202 alt_id: CHEBI:5821 subset: 3_STAR synonym: "(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "527.233" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "527.52010" RELATED MASS [ChEBI] synonym: "Antibiotic A-396-II" RELATED [KEGG_COMPOUND] synonym: "C20H37N3O13" RELATED FORMULA [KEGG_COMPOUND] synonym: "CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "GRRNUXAQVGOGFE-NZSRVPFOSA-N" RELATED InChIKey [ChEBI] synonym: "HYGROMYCIN B" EXACT [PDBeChem] synonym: "Hygromycin B" EXACT [KEGG_COMPOUND] synonym: "InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1" RELATED InChI [ChEBI] synonym: "O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine" RELATED [ChEBI] xref: Beilstein:6755837 "Beilstein" xref: CAS:31282-04-9 "KEGG COMPOUND" xref: colombos:HYGROMYCIN_B xref: KEGG:C01925 xref: PDBeChem:HYG is_a: CHEBI:24753 ! hygromycin is_a: CHEBI:71989 ! ortho ester relationship: has_role CHEBI:35443 ! anthelminthic drug relationship: is_conjugate_base_of CHEBI:57971 ! hygromycin B(3+) [Term] id: CHEBI:16977 name: L-alanine namespace: chebi_ontology alt_id: CHEBI:13069 alt_id: CHEBI:21216 alt_id: CHEBI:40734 alt_id: CHEBI:40735 alt_id: CHEBI:46308 alt_id: CHEBI:6171 def: "The L-enantiomer of alanine." [] subset: 3_STAR synonym: "(2S)-2-aminopropanoic acid" RELATED [IUPAC] synonym: "(S)-2-aminopropanoic acid" RELATED [ChEBI] synonym: "(S)-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "89.048" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "89.09322" RELATED MASS [ChEBI] synonym: "A" RELATED [ChEBI] synonym: "Ala" RELATED [NIST_Chemistry_WebBook] synonym: "ALANINE" RELATED [PDBeChem] synonym: "C3H7NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@H](N)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-2-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "L-Alanin" RELATED [ChEBI] synonym: "L-Alanine" EXACT [KEGG_COMPOUND] synonym: "L-alanine" EXACT IUPAC_NAME [IUPAC] synonym: "L-alpha-Alanine" RELATED [KEGG_COMPOUND] synonym: "L-alpha-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "QNAYBMKLOCPYGJ-REOHCLBHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1720248 "Beilstein" xref: CAS:56-41-7 "KEGG COMPOUND" xref: Drug_Central:4255 "DrugCentral" xref: DrugBank:DB00160 xref: ECMDB:ECMDB00161 xref: Gmelin:49628 "Gmelin" xref: HMDB:HMDB00161 xref: KEGG:C00041 xref: KEGG:D00012 xref: KNApSAcK:C00001332 xref: MetaCyc:ALPHA-ALANINE xref: PDBeChem:ALA_LFOH xref: PMID:18235971 "Europe PMC" xref: PMID:22735334 "Europe PMC" xref: PMID:3275662 "Europe PMC" xref: Reaxys:1720248 "Reaxys" xref: Wikipedia:Alanine xref: YMDB:YMDB00154 is_a: CHEBI:16449 ! alanine is_a: CHEBI:26463 ! pyruvate family amino acid relationship: has_role CHEBI:77881 ! EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor relationship: is_conjugate_acid_of CHEBI:32431 ! L-alaninate relationship: is_conjugate_base_of CHEBI:32432 ! L-alaninium relationship: is_enantiomer_of CHEBI:15570 ! D-alanine relationship: is_tautomer_of CHEBI:57972 ! L-alanine zwitterion [Term] id: CHEBI:16988 name: D-ribose namespace: chebi_ontology alt_id: CHEBI:13011 alt_id: CHEBI:21078 def: "A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in D-glyceraldehyde." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "C5H10O5" RELATED FORMULA [ChEBI] synonym: "D-Rib" RELATED [JCBN] synonym: "D-ribo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "D-ribose" EXACT IUPAC_NAME [IUPAC] xref: DrugBank:DB01936 xref: PMID:24404872 "Europe PMC" xref: PMID:24752650 "Europe PMC" is_a: CHEBI:33942 ! ribose relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_enantiomer_of CHEBI:46997 ! L-ribose [Term] id: CHEBI:16997 name: propane-1,2-diol namespace: chebi_ontology alt_id: CHEBI:14899 alt_id: CHEBI:8469 def: "The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,2-dihydroxypropane" RELATED [ChemIDplus] synonym: "1,2-Propanediol" RELATED [KEGG_COMPOUND] synonym: "1,2-Propylenglykol" RELATED [ChemIDplus] synonym: "2-hydroxypropanol" RELATED [ChemIDplus] synonym: "76.052" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "76.09442" RELATED MASS [ChEBI] synonym: "alpha-propyleneglycol" RELATED [ChemIDplus] synonym: "C3H8O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(O)CO" RELATED SMILES [ChEBI] synonym: "CH3CH(OH)CH2OH" RELATED [ChEBI] synonym: "DNIAPMSPPWPWGF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "HOCH2CH(OH)CH3" RELATED [ChEBI] synonym: "HOCH2CH(OH)Me" RELATED [ChEBI] synonym: "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" RELATED InChI [ChEBI] synonym: "isopropylene glycol" RELATED [ChemIDplus] synonym: "MeCH(OH)CH2OH" RELATED [ChEBI] synonym: "methyl glycol" RELATED [ChEBI] synonym: "methylethyl glycol" RELATED [ChemIDplus] synonym: "methylethylene glycol" RELATED [ChemIDplus] synonym: "monopropylene glycol" RELATED [ChemIDplus] synonym: "PPD" RELATED [ChEBI] synonym: "Propane-1,2-diol" EXACT [KEGG_COMPOUND] synonym: "propane-1,2-diol" EXACT [UniProt] synonym: "propane-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Propylene glycol" RELATED [KEGG_COMPOUND] xref: CAS:57-55-6 "KEGG COMPOUND" xref: Drug_Central:4024 "DrugCentral" xref: DrugBank:DB01839 xref: HMDB:HMDB01881 xref: KEGG:C00583 xref: KEGG:D00078 xref: KNApSAcK:C00007410 xref: LINCS:LSM-36856 xref: PMID:15665701 "Europe PMC" xref: PMID:16078503 "Europe PMC" xref: PMID:18346395 "Europe PMC" xref: PMID:18845115 "Europe PMC" xref: PMID:21616561 "Europe PMC" xref: Reaxys:1340498 "Reaxys" xref: Wikipedia:Propylene_glycol is_a: CHEBI:26284 ! propane-1,2-diols relationship: has_role CHEBI:48356 ! protic solvent relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] id: CHEBI:17012 name: N-acetylneuraminic acid namespace: chebi_ontology alt_id: CHEBI:21620 alt_id: CHEBI:7214 def: "An N-acylneuraminic acid where the N-acyl group is specified as acetyl." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "309.106" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "309.26990" RELATED MASS [ChEBI] synonym: "5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid" RELATED [KEGG_COMPOUND] synonym: "5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO" RELATED SMILES [ChEBI] synonym: "Aceneuramic acid" RELATED [ChemIDplus] synonym: "aceneuramic acid" RELATED INN [ChemIDplus] synonym: "acide aceneuramique" RELATED INN [ChemIDplus] synonym: "acidium aceneuramicum" RELATED INN [ChemIDplus] synonym: "acido aceneuramico" RELATED INN [ChemIDplus] synonym: "C11H19NO9" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1" RELATED InChI [ChEBI] synonym: "N-Acetylneuraminic acid" EXACT [KEGG_COMPOUND] synonym: "Neu5Ac" RELATED [KEGG_COMPOUND] synonym: "NeuAc" RELATED [ChEBI] synonym: "O-sialic acid" RELATED [MetaCyc] synonym: "SQVRNKJHWKZAKO-LUWBGTNYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2951361 "Beilstein" xref: CAS:131-48-6 "KEGG COMPOUND" xref: KEGG:C00270 xref: KNApSAcK:C00019584 xref: PMID:14960498 "Europe PMC" xref: PMID:16209099 "Europe PMC" xref: PMID:16624269 "Europe PMC" xref: PMID:18487279 "Europe PMC" xref: PMID:19329108 "Europe PMC" xref: PMID:7508418 "Europe PMC" xref: Reaxys:1398688 "Reaxys" xref: Wikipedia:N-acetylneuraminic_acid is_a: CHEBI:21622 ! N-acetylneuraminic acids relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:52425 ! EC 3.2.1.18 (exo-alpha-sialidase) inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:35418 ! N-acetylneuraminate [Term] id: CHEBI:17026 name: progesterone namespace: chebi_ontology alt_id: CHEBI:14896 alt_id: CHEBI:18798 alt_id: CHEBI:26269 alt_id: CHEBI:439 alt_id: CHEBI:45786 alt_id: CHEBI:8453 def: "A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species." [] subset: 3_STAR synonym: "(S)-4-Pregnene-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "(S)-Pregn-4-en-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "(S)-Progesterone" RELATED [KEGG_COMPOUND] synonym: "0" RELATED CHARGE [ChEBI] synonym: "17alpha-progesterone" RELATED [NIST_Chemistry_WebBook] synonym: "314.225" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "314.46170" RELATED MASS [ChEBI] synonym: "4-Pregnene-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O" RELATED SMILES [ChEBI] synonym: "Agolutin" RELATED [NIST_Chemistry_WebBook] synonym: "Akrolutin" RELATED [ChEBI] synonym: "C21H30O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "corpus luteum hormone" RELATED [ChemIDplus] synonym: "Crinone" RELATED [ChemIDplus] synonym: "Delta(4)-pregnene-3,20-dione" RELATED [ChEBI] synonym: "Gelbkoerperhormon" RELATED [ChEBI] synonym: "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1" RELATED InChI [ChEBI] synonym: "luteohormone" RELATED [ChemIDplus] synonym: "pregn-4-ene-3,20-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Progesteron" RELATED [ChEBI] synonym: "PROGESTERONE" EXACT [PDBeChem] synonym: "Progesterone" EXACT [KEGG_COMPOUND] synonym: "progesterone" EXACT [UniProt] synonym: "RJKFOVLPORLFTN-LEKSSAKUSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1915950 "Beilstein" xref: CAS:57-83-0 "NIST Chemistry WebBook" xref: colombos:PROGESTERONE xref: Drug_Central:2279 "DrugCentral" xref: DrugBank:DB00396 xref: Gmelin:708590 "Gmelin" xref: HMDB:HMDB01830 xref: KEGG:C00410 xref: KEGG:D00066 xref: MetaCyc:PROGESTERONE xref: PDBeChem:STR xref: PMID:10438974 "Europe PMC" xref: PMID:9506942 "Europe PMC" xref: Reaxys:1915950 "Reaxys" xref: Wikipedia:Progesterone is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid is_a: CHEBI:64600 ! C21-steroid hormone relationship: has_parent_hydride CHEBI:8386 ! pregnane relationship: has_role CHEBI:49323 ! contraceptive drug relationship: has_role CHEBI:59826 ! progestin relationship: has_role CHEBI:70709 ! progesterone receptor agonist relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17032 name: 2-dehydro-3-deoxy-D-gluconic acid namespace: chebi_ontology alt_id: CHEBI:1059 alt_id: CHEBI:11550 alt_id: CHEBI:19530 def: "The 2-dehydro-3-deoxy derivative of D-gluconic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "178.048" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "178.14000" RELATED MASS [ChEBI] synonym: "2-Dehydro-3-deoxy-D-gluconate" RELATED [KEGG_COMPOUND] synonym: "2-dehydro-3-deoxy-D-gluconate" RELATED [ChEBI] synonym: "2-Keto-3-deoxy-D-gluconate" RELATED [KEGG_COMPOUND] synonym: "3-Deoxy-2-oxo-D-gluconate" RELATED [ChemIDplus] synonym: "3-deoxy-D-erythro-2-hexulosonic acid" RELATED [ChemIDplus] synonym: "3-deoxy-D-erythro-hex-2-ulosonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C6H10O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1" RELATED InChI [ChEBI] synonym: "OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "WPAMZTWLKIDIOP-WVZVXSGGSA-N" RELATED InChIKey [ChEBI] xref: CAS:17510-99-5 "ChemIDplus" xref: KEGG:C00204 xref: PDBeChem:KDG xref: Reaxys:1724592 "Reaxys" is_a: CHEBI:24963 ! ketoaldonic acid is_a: CHEBI:33752 ! hexonic acid relationship: has_functional_parent CHEBI:33198 ! D-gluconic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:57990 ! 2-dehydro-3-deoxy-D-gluconate [Term] id: CHEBI:17061 name: D-glutamine namespace: chebi_ontology alt_id: CHEBI:12980 alt_id: CHEBI:21024 alt_id: CHEBI:4184 def: "The D-enantiomer of glutamine." [] subset: 3_STAR synonym: "(2R)-2,5-diamino-5-oxopentanoic acid" RELATED [IUPAC] synonym: "(2R)-2-amino-4-carbamoylbutanoic acid" RELATED [JCBN] synonym: "(R)-2,5-diamino-5-oxopentanoic acid" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "146.069" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "146.14458" RELATED MASS [ChEBI] synonym: "C5H10N2O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-2-Aminoglutaramic acid" RELATED [KEGG_COMPOUND] synonym: "D-Glutamin" RELATED [ChEBI] synonym: "D-Glutamine" EXACT [KEGG_COMPOUND] synonym: "D-glutamine" EXACT IUPAC_NAME [IUPAC] synonym: "D-Glutaminsaeure-5-amid" RELATED [ChEBI] synonym: "DGN" RELATED [PDBeChem] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](CCC(N)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-GSVOUGTGSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1723796 "Beilstein" xref: CAS:5959-95-5 "KEGG COMPOUND" xref: DrugBank:DB02174 xref: ECMDB:ECMDB03423 xref: Gmelin:1318700 "Gmelin" xref: HMDB:HMDB03423 xref: KEGG:C00819 xref: MetaCyc:GLUTAMIDE xref: Patent:WO2011109119 xref: PDBeChem:DGN xref: PMID:21048866 "Europe PMC" xref: PMID:21182880 "Europe PMC" xref: PMID:22291598 "Europe PMC" xref: PMID:3697715 "Europe PMC" xref: PMID:7197365 "Europe PMC" xref: Reaxys:1723796 "Reaxys" xref: YMDB:YMDB00990 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:28300 ! glutamine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:32672 ! D-glutaminate relationship: is_conjugate_base_of CHEBI:32673 ! D-glutaminium relationship: is_enantiomer_of CHEBI:18050 ! L-glutamine [Term] id: CHEBI:17062 name: primary aliphatic amine namespace: chebi_ontology alt_id: CHEBI:13431 alt_id: CHEBI:8749 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "30.034" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "30.04920" RELATED MASS [ChEBI] synonym: "CH4NR" RELATED FORMULA [ChEBI] synonym: "NC[*]" RELATED SMILES [ChEBI] synonym: "primary aliphatic amines" RELATED [ChEBI] synonym: "RCH2NH2" RELATED [KEGG_COMPOUND] synonym: "RCH2NH2" RELATED [ChEBI] xref: KEGG:C00375 is_a: CHEBI:32877 ! primary amine relationship: is_conjugate_base_of CHEBI:58001 ! primary aliphatic ammonium ion [Term] id: CHEBI:17076 name: streptomycin namespace: chebi_ontology alt_id: CHEBI:15119 alt_id: CHEBI:26784 alt_id: CHEBI:45745 alt_id: CHEBI:9284 def: "A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class" [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside" RELATED [ChemIDplus] synonym: "581.266" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "581.57434" RELATED MASS [ChEBI] synonym: "[2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}" RELATED [IUPAC] synonym: "C21H39N7O12" RELATED FORMULA [KEGG_COMPOUND] synonym: "CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N" RELATED SMILES [ChEBI] synonym: "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" RELATED InChI [ChEBI] synonym: "Kantrex" RELATED BRAND_NAME [DrugBank] synonym: "N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "SM" RELATED [KEGG_DRUG] synonym: "streomycin" RELATED [ChEBI] synonym: "STREPTOMYCIN" EXACT [PDBeChem] synonym: "streptomycin" RELATED INN [KEGG_DRUG] synonym: "UCSJYZPVAKXKNQ-HZYVHMACSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:74498 "Beilstein" xref: CAS:57-92-1 "ChemIDplus" xref: colombos:STREPTOMYCIN xref: colombos:STREPTOMYCIN\:+UNKNOWN xref: Drug_Central:2481 "DrugCentral" xref: DrugBank:DB01082 xref: HMDB:HMDB15214 xref: KEGG:C00413 xref: KEGG:D08531 xref: MetaCyc:STREPTOMYCIN xref: PDBeChem:SRY xref: Pesticides:streptomycin "Alan Wood's Pesticides" xref: PMID:11228320 "Europe PMC" xref: PMID:11905029 "Europe PMC" xref: PMID:12118520 "Europe PMC" xref: PMID:13030054 "Europe PMC" xref: PMID:13116094 "Europe PMC" xref: PMID:13136149 "Europe PMC" xref: PMID:13596285 "Europe PMC" xref: PMID:13691614 "Europe PMC" xref: PMID:13985260 "Europe PMC" xref: PMID:13990247 "Europe PMC" xref: PMID:14623118 "Europe PMC" xref: PMID:14828344 "Europe PMC" xref: PMID:14852338 "Europe PMC" xref: PMID:14939639 "Europe PMC" xref: PMID:15081082 "Europe PMC" xref: PMID:15137533 "Europe PMC" xref: PMID:15207172 "Europe PMC" xref: PMID:15686853 "Europe PMC" xref: PMID:15736038 "Europe PMC" xref: PMID:16904706 "Europe PMC" xref: PMID:17105735 "Europe PMC" xref: PMID:17238915 "Europe PMC" xref: PMID:17429930 "Europe PMC" xref: PMID:18173084 "Europe PMC" xref: PMID:18916143 "Europe PMC" xref: PMID:19052412 "Europe PMC" xref: PMID:19335957 "Europe PMC" xref: PMID:21350946 "Europe PMC" xref: PMID:21362244 "Europe PMC" xref: PMID:21593257 "Europe PMC" xref: PMID:21937264 "Europe PMC" xref: PMID:22101040 "Europe PMC" xref: Reaxys:74498 "Reaxys" xref: Wikipedia:Streptomycin is_a: CHEBI:26788 ! streptomycins is_a: CHEBI:87113 ! antibiotic antifungal drug is_a: CHEBI:87114 ! antibiotic fungicide relationship: has_functional_parent CHEBI:27405 ! streptidine relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: has_role CHEBI:86328 ! antifungal agrochemical relationship: is_conjugate_base_of CHEBI:58007 ! streptomycin(3+) [Term] id: CHEBI:17087 name: ketone namespace: chebi_ontology alt_id: CHEBI:13427 alt_id: CHEBI:13646 alt_id: CHEBI:24974 alt_id: CHEBI:6127 alt_id: CHEBI:8742 def: "A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H)." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "27.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]C([*])=O" RELATED SMILES [ChEBI] synonym: "a ketone" RELATED [UniProt] synonym: "cetone" RELATED [ChEBI] synonym: "COR2" RELATED FORMULA [ChEBI] synonym: "Keton" RELATED [ChEBI] synonym: "Ketone" EXACT [KEGG_COMPOUND] synonym: "ketones" EXACT IUPAC_NAME [IUPAC] synonym: "ketones" RELATED [ChEBI] synonym: "R-CO-R'" RELATED [KEGG_COMPOUND] xref: KEGG:C01450 xref: Wikipedia:Ketone is_a: CHEBI:36586 ! carbonyl compound [Term] id: CHEBI:17115 name: L-serine namespace: chebi_ontology alt_id: CHEBI:13167 alt_id: CHEBI:21387 alt_id: CHEBI:45440 alt_id: CHEBI:45451 alt_id: CHEBI:45590 alt_id: CHEBI:45597 alt_id: CHEBI:45677 alt_id: CHEBI:6301 def: "The L-enantiomer of serine." [] subset: 3_STAR synonym: "(2S)-2-amino-3-hydroxypropanoic acid" RELATED [IUPAC] synonym: "(S)-(-)-serine" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-2-amino-3-hydroxypropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-alpha-Amino-beta-hydroxypropionic acid" RELATED [HMDB] synonym: "(S)-serine" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "105.043" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "105.09262" RELATED MASS [ChEBI] synonym: "beta-Hydroxy-L-alanine" RELATED [HMDB] synonym: "beta-Hydroxyalanine" RELATED [HMDB] synonym: "C3H7NO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-(-)-serine" RELATED [NIST_Chemistry_WebBook] synonym: "L-2-Amino-3-hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "L-3-Hydroxy-2-aminopropionic acid" RELATED [HMDB] synonym: "L-3-Hydroxy-alanine" RELATED [KEGG_COMPOUND] synonym: "L-Ser" RELATED [DrugBank] synonym: "L-Serin" RELATED [ChEBI] synonym: "L-Serine" EXACT [KEGG_COMPOUND] synonym: "L-serine" EXACT IUPAC_NAME [IUPAC] synonym: "MTCFGRXMJLQNBG-REOHCLBHSA-N" RELATED InChIKey [ChEBI] synonym: "N[C@@H](CO)C(O)=O" RELATED SMILES [ChEBI] synonym: "S" RELATED [ChEBI] synonym: "Ser" RELATED [ChEBI] synonym: "SERINE" RELATED [PDBeChem] synonym: "Serine" RELATED [KEGG_COMPOUND] xref: Beilstein:1721404 "Beilstein" xref: CAS:56-45-1 "NIST Chemistry WebBook" xref: Drug_Central:4127 "DrugCentral" xref: DrugBank:DB00133 xref: ECMDB:ECMDB00187 xref: Gmelin:2570 "Gmelin" xref: HMDB:HMDB00187 xref: KEGG:C00065 xref: KEGG:D00016 xref: KNApSAcK:C00001393 xref: MetaCyc:SER xref: PDBeChem:SER xref: PMID:1650428 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:19062365 "Europe PMC" xref: PMID:21956576 "Europe PMC" xref: PMID:22265470 "Europe PMC" xref: PMID:22393170 "Europe PMC" xref: PMID:22547037 "Europe PMC" xref: PMID:22566084 "Europe PMC" xref: PMID:22566694 "Europe PMC" xref: Reaxys:1721404 "Reaxys" xref: Wikipedia:L-serine xref: YMDB:YMDB00112 is_a: CHEBI:17822 ! serine is_a: CHEBI:26650 ! serine family amino acid relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32836 ! L-serinate relationship: is_conjugate_base_of CHEBI:32837 ! L-serinium relationship: is_enantiomer_of CHEBI:16523 ! D-serine relationship: is_tautomer_of CHEBI:33384 ! L-serine zwitterion [Term] id: CHEBI:17120 name: hexanoate namespace: chebi_ontology alt_id: CHEBI:14398 alt_id: CHEBI:24569 def: "A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid)." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "1-hexanoate" RELATED [ChEBI] synonym: "1-pentacarboxylate" RELATED [ChEBI] synonym: "1-pentanecarboxylate" RELATED [ChEBI] synonym: "115.076" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "115.15034" RELATED MASS [ChEBI] synonym: "butylacetate" RELATED [ChEBI] synonym: "C6H11O2" RELATED FORMULA [ChEBI] synonym: "caproate" RELATED [ChEBI] synonym: "capronate" RELATED [ChEBI] synonym: "CCCCCC([O-])=O" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]4-COO(-)" RELATED [IUPAC] synonym: "FUZZWVXGSFPDMH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "hexanoate" EXACT [UniProt] synonym: "hexanoate" EXACT IUPAC_NAME [IUPAC] synonym: "hexoate" RELATED [ChEBI] synonym: "hexylate" RELATED [ChEBI] synonym: "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1" RELATED InChI [ChEBI] synonym: "n-caproate" RELATED [ChEBI] synonym: "n-hexanoate" RELATED [ChEBI] synonym: "n-hexoate" RELATED [ChEBI] synonym: "n-hexylate" RELATED [ChEBI] synonym: "nPnCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "pentanecarboxylate" RELATED [ChEBI] synonym: "pentylformate" RELATED [ChEBI] xref: Beilstein:3601453 "Beilstein" xref: CAS:151-33-7 "Beilstein" xref: ECMDB:ECMDB21229 xref: Gmelin:326340 "Gmelin" xref: KEGG:C01585 "ChEBI" xref: MetaCyc:HEXANOATE is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:78116 ! fatty acid anion 6:0 relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30776 ! hexanoic acid [Term] id: CHEBI:17126 name: carnitine namespace: chebi_ontology alt_id: CHEBI:11817 alt_id: CHEBI:13947 alt_id: CHEBI:20047 alt_id: CHEBI:23038 def: "An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "161.105" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "161.19894" RELATED MASS [ChEBI] synonym: "3-hydroxy-4-(trimethylammonio)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "C7H15NO3" RELATED FORMULA [ChEBI] synonym: "C[N+](C)(C)CC(O)CC([O-])=O" RELATED SMILES [ChEBI] synonym: "carnitine" EXACT [UniProt] synonym: "D,L-carnitine" RELATED [MetaCyc] synonym: "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3" RELATED InChI [ChEBI] synonym: "PHIQHXFUZVPYII-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1866665 "Beilstein" xref: CAS:461-06-3 "ChemIDplus" xref: DrugBank:DB02648 xref: KEGG:C00487 "ChEBI" xref: MetaCyc:DL-CARNITINE xref: Patent:US4255449 xref: Patent:US4315944 xref: PMID:22770225 "Europe PMC" xref: PMID:23868375 "Europe PMC" xref: Reaxys:1866665 "Reaxys" xref: Wikipedia:Carnitine is_a: CHEBI:22860 ! amino-acid betaine relationship: has_functional_parent CHEBI:17968 ! butyrate relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:3424 ! carnitinium [Term] id: CHEBI:17137 name: hydrogensulfite namespace: chebi_ontology alt_id: CHEBI:13367 alt_id: CHEBI:5598 subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "80.965" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "81.07214" RELATED MASS [ChEBI] synonym: "[SO2(OH)](-)" RELATED [IUPAC] synonym: "Bisulfite" RELATED [KEGG_COMPOUND] synonym: "bisulfite" RELATED [ChemIDplus] synonym: "bisulphite" RELATED [ChemIDplus] synonym: "HO3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "HSO3(-)" RELATED [IUPAC] synonym: "HSO3-" RELATED [KEGG_COMPOUND] synonym: "Hydrogen sulfite" RELATED [KEGG_COMPOUND] synonym: "hydrogen sulfite(1-)" RELATED [ChemIDplus] synonym: "hydrogen(trioxidosulfate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogensulfite(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrosulfite anion" RELATED [ChemIDplus] synonym: "hydroxidodioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1" RELATED InChI [ChEBI] synonym: "LSNNMFCWUKXFEE-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "monohydrogentrioxosulfate" EXACT IUPAC_NAME [IUPAC] synonym: "OS([O-])=O" RELATED SMILES [ChEBI] xref: CAS:15181-46-1 "ChemIDplus" xref: Gmelin:1455 "Gmelin" xref: KEGG:C11481 xref: PDBeChem:SO3 is_a: CHEBI:33482 ! sulfur oxoanion relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:17359 ! sulfite relationship: is_conjugate_base_of CHEBI:48854 ! sulfurous acid [Term] id: CHEBI:17146 name: anhydrotetracycline namespace: chebi_ontology alt_id: CHEBI:13833 alt_id: CHEBI:22559 alt_id: CHEBI:2728 subset: 3_STAR synonym: "(4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "426.143" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "426.41936" RELATED MASS [ChEBI] synonym: "[H][C@@]12Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C" RELATED SMILES [ChEBI] synonym: "Anhydrotetracycline" EXACT [KEGG_COMPOUND] synonym: "C22H22N2O7" RELATED FORMULA [KEGG_COMPOUND] synonym: "CXCVEERYMJZMMM-DOCRCCHOSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1" RELATED InChI [ChEBI] xref: colombos:ANHYDROTETRACYCLIN xref: KEGG:C02811 xref: PDBeChem:TDC is_a: CHEBI:26895 ! tetracyclines relationship: is_tautomer_of CHEBI:58032 ! anhydrotetracycline zwitterion [Term] id: CHEBI:17148 name: putrescine namespace: chebi_ontology alt_id: CHEBI:14972 alt_id: CHEBI:26405 alt_id: CHEBI:45092 alt_id: CHEBI:8650 def: "A four-carbon alkane-alpha,omega-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,4-Butanediamine" RELATED [KEGG_COMPOUND] synonym: "1,4-butylenediamine" RELATED [ChemIDplus] synonym: "1,4-DIAMINOBUTANE" RELATED [PDBeChem] synonym: "1,4-tetramethylenediamine" RELATED [NIST_Chemistry_WebBook] synonym: "88.100" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "88.15150" RELATED MASS [ChEBI] synonym: "Butane-1,4-diamine" RELATED [KEGG_COMPOUND] synonym: "butane-1,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "butylenediamine" RELATED [ChemIDplus] synonym: "C4H12N2" RELATED FORMULA [KEGG_COMPOUND] synonym: "H2N(CH2)4NH2" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2" RELATED InChI [ChEBI] synonym: "KIDHWZJUCRJVML-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "NCCCCN" RELATED SMILES [ChEBI] synonym: "Putrescin" RELATED [ChEBI] synonym: "putrescina" RELATED [ChEBI] synonym: "Putrescine" EXACT [KEGG_COMPOUND] synonym: "Putreszin" RELATED [ChEBI] synonym: "Tetramethylendiamin" RELATED [ChEBI] synonym: "Tetramethylenediamine" RELATED [KEGG_COMPOUND] xref: Beilstein:605282 "Beilstein" xref: CAS:110-60-1 "ChemIDplus" xref: DrugBank:DB01917 xref: ECMDB:ECMDB01414 xref: Gmelin:1715 "Gmelin" xref: HMDB:HMDB01414 xref: KEGG:C00134 xref: KNApSAcK:C00001428 xref: MetaCyc:PUTRESCINE xref: PDBeChem:PUT xref: PMID:12053479 "Europe PMC" xref: PMID:15453685 "Europe PMC" xref: PMID:16346523 "Europe PMC" xref: PMID:18721677 "Europe PMC" xref: PMID:22735334 "Europe PMC" xref: PMID:24331418 "Europe PMC" xref: PMID:24820075 "Europe PMC" xref: PMID:24864091 "Europe PMC" xref: Reaxys:605282 "Reaxys" xref: Wikipedia:Putrescine xref: YMDB:YMDB00132 is_a: CHEBI:35411 ! alkane-alpha,omega-diamine relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:326268 ! 1,4-butanediammonium [Term] id: CHEBI:17158 name: methylglyoxal namespace: chebi_ontology alt_id: CHEBI:11643 alt_id: CHEBI:14599 alt_id: CHEBI:25303 alt_id: CHEBI:6875 def: "A 2-oxo aldehyde derived from propanal." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,2-propanedione" RELATED [NIST_Chemistry_WebBook] synonym: "2-Ketopropionaldehyde" RELATED [KEGG_COMPOUND] synonym: "2-Oxopropanal" RELATED [KEGG_COMPOUND] synonym: "2-oxopropanal" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxopropanal" RELATED [UniProt] synonym: "2-oxopropionaldehyde" RELATED [ChemIDplus] synonym: "72.021" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "72.06266" RELATED MASS [ChEBI] synonym: "[H]C(=O)C(C)=O" RELATED SMILES [ChEBI] synonym: "acetylformaldehyde" RELATED [ChemIDplus] synonym: "acetylformyl" RELATED [NIST_Chemistry_WebBook] synonym: "AIJULSRZWUXGPQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "alpha-ketopropionaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "C3H4O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CH3COCHO" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3" RELATED InChI [ChEBI] synonym: "Methylglyoxal" EXACT [KEGG_COMPOUND] synonym: "Pyruvaldehyde" RELATED [KEGG_COMPOUND] synonym: "Pyruvic aldehyde" RELATED [KEGG_COMPOUND] xref: Beilstein:906750 "Beilstein" xref: CAS:78-98-8 "KEGG COMPOUND" xref: KEGG:C00546 xref: KNApSAcK:C00007562 xref: PMID:10373458 "Europe PMC" xref: PMID:10723098 "Europe PMC" xref: PMID:11504881 "Europe PMC" xref: PMID:15520007 "Europe PMC" xref: PMID:17103372 "Europe PMC" xref: PMID:19202315 "Europe PMC" xref: PMID:20096340 "Europe PMC" xref: PMID:22983866 "Europe PMC" xref: PMID:23543734 "Europe PMC" xref: PMID:23845007 "Europe PMC" xref: PMID:24040205 "Europe PMC" xref: PMID:24168114 "Europe PMC" xref: PMID:26861824 "Europe PMC" xref: PMID:9506998 "Europe PMC" xref: Reaxys:906750 "Reaxys" xref: Wikipedia:Methylglyoxal is_a: CHEBI:26282 ! propanals is_a: CHEBI:27659 ! 2-oxo aldehyde relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17188 name: nucleoside 5'-monophosphate namespace: chebi_ontology alt_id: CHEBI:14676 alt_id: CHEBI:25607 alt_id: CHEBI:7439 alt_id: CHEBI:7653 alt_id: CHEBI:7654 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "213.016" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "C5H10O7PR" RELATED FORMULA [ChEBI] synonym: "NMP" RELATED [KEGG_COMPOUND] synonym: "Nucleoside monophosphate" RELATED [KEGG_COMPOUND] synonym: "nucleoside monophosphate" RELATED [ChEBI] synonym: "nucleoside monophosphates" RELATED [ChEBI] synonym: "Nucleoside phosphate" RELATED [KEGG_COMPOUND] synonym: "O[C@H]1[C@H]([*])O[C@H](COP(O)(O)=O)[C@H]1O" RELATED SMILES [ChEBI] xref: KEGG:C01329 xref: KEGG:C02520 is_a: CHEBI:25608 ! nucleoside phosphate relationship: is_conjugate_acid_of CHEBI:58043 ! nucleoside 5'-monophosphate(2-) [Term] id: CHEBI:17196 name: L-asparagine namespace: chebi_ontology alt_id: CHEBI:13083 alt_id: CHEBI:21242 alt_id: CHEBI:40902 alt_id: CHEBI:6191 def: "An optically active form of asparagine having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,4-diamino-4-oxobutanoic acid" RELATED [IUPAC] synonym: "(2S)-2-amino-3-carbamoylpropanoic acid" RELATED [JCBN] synonym: "(S)-2-amino-3-carbamoylpropanoic acid" RELATED [ChEBI] synonym: "(S)-Asparagine" RELATED [DrugBank] synonym: "0" RELATED CHARGE [ChEBI] synonym: "132.053" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "132.11800" RELATED MASS [ChEBI] synonym: "2-Aminosuccinamic acid" RELATED [KEGG_COMPOUND] synonym: "alpha-aminosuccinamic acid" RELATED [ChemIDplus] synonym: "Asn" RELATED [NIST_Chemistry_WebBook] synonym: "ASPARAGINE" RELATED [PDBeChem] synonym: "Aspartamic acid" RELATED [DrugBank] synonym: "C4H8N2O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "DCXYFEDJOCDNAF-REOHCLBHSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-2-aminosuccinamic acid" RELATED [ChemIDplus] synonym: "L-Asparagin" RELATED [ChEBI] synonym: "L-Asparagine" EXACT [KEGG_COMPOUND] synonym: "L-asparagine" EXACT IUPAC_NAME [IUPAC] synonym: "L-aspartic acid beta-amide" RELATED [ChEBI] synonym: "N" RELATED [NIST_Chemistry_WebBook] synonym: "N[C@@H](CC(N)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1723527 "Beilstein" xref: CAS:70-47-3 "NIST Chemistry WebBook" xref: Drug_Central:4126 "DrugCentral" xref: DrugBank:DB00174 xref: ECMDB:ECMDB00168 xref: Gmelin:3334 "Gmelin" xref: HMDB:HMDB00168 xref: KEGG:C00152 xref: KNApSAcK:C00001341 xref: MetaCyc:ASN xref: PDBeChem:ASN xref: PMID:12142634 "Europe PMC" xref: PMID:15907185 "Europe PMC" xref: PMID:16190636 "Europe PMC" xref: PMID:16368161 "Europe PMC" xref: PMID:16668324 "Europe PMC" xref: PMID:17497286 "Europe PMC" xref: PMID:21800258 "Europe PMC" xref: PMID:21854356 "Europe PMC" xref: PMID:22513289 "Europe PMC" xref: Reaxys:1723527 "Reaxys" xref: Wikipedia:Asparagine xref: YMDB:YMDB00226 is_a: CHEBI:22653 ! asparagine is_a: CHEBI:22658 ! aspartate family amino acid relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32650 ! L-asparaginate relationship: is_conjugate_base_of CHEBI:32651 ! L-asparaginium relationship: is_enantiomer_of CHEBI:28159 ! D-asparagine relationship: is_tautomer_of CHEBI:58048 ! L-asparagine zwitterion [Term] id: CHEBI:17230 name: homocysteine namespace: chebi_ontology alt_id: CHEBI:14408 alt_id: CHEBI:5751 def: "A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "135.035" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "135.18580" RELATED MASS [ChEBI] synonym: "2-Amino-4-mercaptobutyric acid" RELATED [KEGG_COMPOUND] synonym: "2-amino-4-sulfanylbutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C4H9NO2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "FFFHZYDWPBMWHY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Hcy" RELATED [IUPAC] synonym: "Homocysteine" EXACT [KEGG_COMPOUND] synonym: "homocysteine" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)" RELATED InChI [ChEBI] synonym: "NC(CCS)C(O)=O" RELATED SMILES [ChEBI] xref: HMDB:HMDB00742 xref: KEGG:C05330 xref: PMID:11133260 "Europe PMC" xref: PMID:16596805 "Europe PMC" xref: PMID:18370634 "Europe PMC" xref: Wikipedia:Homocysteine is_a: CHEBI:24610 ! homocysteines is_a: CHEBI:26834 ! sulfur-containing amino acid relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:66952 ! homocysteinate relationship: is_tautomer_of CHEBI:58065 ! homocysteine zwitterion [Term] id: CHEBI:17234 name: glucose namespace: chebi_ontology alt_id: CHEBI:14313 alt_id: CHEBI:24277 alt_id: CHEBI:33929 alt_id: CHEBI:5418 def: "An aldohexose used as a source of energy and metabolic intermediate." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "180.15588" RELATED MASS [ChEBI] synonym: "C6H12O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "DL-glucose" RELATED [ChEBI] synonym: "Glc" RELATED [JCBN] synonym: "gluco-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "Glucose" EXACT [KEGG_COMPOUND] synonym: "glucose" EXACT IUPAC_NAME [IUPAC] synonym: "Glukose" RELATED [ChEBI] xref: CAS:50-99-7 "KEGG COMPOUND" xref: colombos:GLUCOSE xref: KEGG:C00293 xref: Wikipedia:Glucose is_a: CHEBI:33917 ! aldohexose relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:17258 name: 7H-purine namespace: chebi_ontology alt_id: CHEBI:14968 alt_id: CHEBI:8639 def: "The 7H-tautomer of purine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "120.044" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "120.11222" RELATED MASS [ChEBI] synonym: "7H-purine" EXACT IUPAC_NAME [IUPAC] synonym: "c1ncc2[nH]cnc2n1" RELATED SMILES [ChEBI] synonym: "C5H4N4" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" RELATED InChI [ChEBI] synonym: "KDCGOANMDULRCW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Purine" RELATED [KEGG_COMPOUND] synonym: "purine" RELATED [UniProt] synonym: "Purine base" RELATED [KEGG_COMPOUND] xref: Beilstein:3200 "Beilstein" xref: Gmelin:601779 "Gmelin" xref: HMDB:HMDB01366 xref: KEGG:C15587 xref: Reaxys:3200 "Reaxys" is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine [Term] id: CHEBI:17272 name: propionate namespace: chebi_ontology alt_id: CHEBI:14903 alt_id: CHEBI:26290 def: "The conjugate base of propionic acid; a key precursor in lipid biosynthesis." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "73.029" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "73.07060" RELATED MASS [ChEBI] synonym: "C3H5O2" RELATED FORMULA [ChEBI] synonym: "carboxylatoethane" RELATED [ChEBI] synonym: "CCC([O-])=O" RELATED SMILES [ChEBI] synonym: "CH3-CH2-COO(-)" RELATED [IUPAC] synonym: "EtCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "ethanecarboxylate" RELATED [ChEBI] synonym: "ethylformate" RELATED [ChEBI] synonym: "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1" RELATED InChI [ChEBI] synonym: "metacetonate" RELATED [ChEBI] synonym: "methylacetate" RELATED [ChEBI] synonym: "propanate" RELATED [ChEBI] synonym: "propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "propanoate" RELATED [UniProt] synonym: "propanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "propionate" EXACT [IUPAC] synonym: "pseudoacetate" RELATED [ChEBI] synonym: "XBDQKXXYIPTUBI-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3587503 "Beilstein" xref: CAS:72-03-7 "NIST Chemistry WebBook" xref: Gmelin:1820 "Gmelin" xref: KEGG:C00163 "ChEBI" xref: PMID:17951291 "Europe PMC" xref: PMID:18375549 "Europe PMC" xref: PMID:2647392 "Europe PMC" xref: UM-BBD_compID:c0277 "ChEBI" is_a: CHEBI:78113 ! fatty acid anion 3:0 relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30768 ! propionic acid [Term] id: CHEBI:17289 name: homoserine lactone namespace: chebi_ontology alt_id: CHEBI:1017 alt_id: CHEBI:11522 alt_id: CHEBI:19468 alt_id: CHEBI:30656 def: "A butan-4-olide having an amino substituent at the 2-position." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "101.048" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "101.10392" RELATED MASS [ChEBI] synonym: "2-Aminobutan-4-olide" RELATED [KEGG_COMPOUND] synonym: "3-amino-4,5-dihydrofuran-2(3H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-amino-gamma-butyrolactone" RELATED [ChEBI] synonym: "C4H7NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Homoserine lactone" EXACT [KEGG_COMPOUND] synonym: "homoserine lactone" EXACT IUPAC_NAME [IUPAC] synonym: "HSL" RELATED [ChEBI] synonym: "Hsl" RELATED [IUPAC] synonym: "HSLs" RELATED [ChEBI] synonym: "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2" RELATED InChI [ChEBI] synonym: "NC1CCOC1=O" RELATED SMILES [ChEBI] synonym: "QJPWUUJVYOJNMH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:80584 "Beilstein" xref: CAS:1192-20-7 "ChemIDplus" xref: DrugBank:DB02624 xref: KEGG:C02926 xref: MetaCyc:HOMOSERINE-LACTONE xref: PMID:7545940 "Europe PMC" xref: Reaxys:80584 "Reaxys" is_a: CHEBI:22950 ! butan-4-olide is_a: CHEBI:50994 ! primary amino compound relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:58093 ! homoserinium lactone [Term] id: CHEBI:17296 name: aniline namespace: chebi_ontology alt_id: CHEBI:13834 alt_id: CHEBI:22561 alt_id: CHEBI:2732 alt_id: CHEBI:40796 def: "A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "93.058" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "93.12650" RELATED MASS [ChEBI] synonym: "aminobenzene" RELATED [ChemIDplus] synonym: "aminophen" RELATED [ChemIDplus] synonym: "Anilin" RELATED [NIST_Chemistry_WebBook] synonym: "ANILINE" EXACT [PDBeChem] synonym: "Aniline" EXACT [KEGG_COMPOUND] synonym: "aniline" EXACT [UniProt] synonym: "aniline" EXACT IUPAC_NAME [IUPAC] synonym: "Benzenamine" RELATED [KEGG_COMPOUND] synonym: "benzeneamine" RELATED [NIST_Chemistry_WebBook] synonym: "C6H7N" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" RELATED InChI [ChEBI] synonym: "kyanol" RELATED [NIST_Chemistry_WebBook] synonym: "Nc1ccccc1" RELATED SMILES [ChEBI] synonym: "PAYRUJLWNCNPSJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Phenylamine" RELATED [KEGG_COMPOUND] xref: Beilstein:605631 "Beilstein" xref: CAS:62-53-3 "ChemIDplus" xref: DrugBank:DB06728 xref: Gmelin:2796 "Gmelin" xref: HMDB:HMDB03012 xref: KEGG:C00292 xref: MetaCyc:ANILINE xref: PDBeChem:ANL xref: PMID:11304127 "Europe PMC" xref: PMID:17135213 "Europe PMC" xref: PMID:23821252 "Europe PMC" xref: PMID:3779628 "Europe PMC" xref: PMID:6205897 "Europe PMC" xref: Reaxys:605631 "Reaxys" xref: Wikipedia:Aniline is_a: CHEBI:22562 ! anilines is_a: CHEBI:50471 ! primary arylamine [Term] id: CHEBI:17301 name: glucaric acid namespace: chebi_ontology alt_id: CHEBI:24258 alt_id: CHEBI:5393 def: "A hexaric acid derived by oxidation of sugar such as glucose with nitric acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "210.13880" RELATED MASS [ChEBI] synonym: "C6H10O8" RELATED FORMULA [KEGG_COMPOUND] synonym: "Glucaric acid" EXACT [KEGG_COMPOUND] synonym: "glucaric acid" EXACT IUPAC_NAME [IUPAC] synonym: "glucosaccharic acid" RELATED [ChemIDplus] synonym: "saccharic acid" RELATED [ChEBI] synonym: "tetrahydroxyadipic acid" RELATED [ChemIDplus] xref: Beilstein:1728123 "Beilstein" xref: CAS:25525-21-7 "ChemIDplus" xref: DrugBank:DB03603 xref: HMDB:HMDB00663 xref: KEGG:C00767 xref: PMID:6526537 "Europe PMC" xref: Reaxys:1728123 "Reaxys" is_a: CHEBI:24577 ! hexaric acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:35392 ! glucarate(1-) [Term] id: CHEBI:17306 name: maltose namespace: chebi_ontology alt_id: CHEBI:14568 alt_id: CHEBI:25144 alt_id: CHEBI:6668 def: "A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "342.116" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "342.29648" RELATED MASS [ChEBI] synonym: "4-(alpha-D-glucopyranosido)-alpha-glucopyranose" RELATED [NIST_Chemistry_WebBook] synonym: "4-(alpha-D-glucosido)-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "4-O-alpha-D-glucopyranosyl-D-glucopyranose" RELATED [IUPAC] synonym: "4-O-alpha-D-glucopyranosyl-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-D-Glcp-(1->4)-D-Glcp" RELATED [IUPAC] synonym: "alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "alpha-D-glucopyranosyl-(1->4)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-glucopyranosyl-(1->4)-D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-malt sugar" RELATED [NIST_Chemistry_WebBook] synonym: "C12H22O11" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cextromaltose" RELATED [NIST_Chemistry_WebBook] synonym: "D-(+)-maltose" RELATED [ChemIDplus] synonym: "D-maltose" RELATED [NIST_Chemistry_WebBook] synonym: "GUBGYTABKSRVRQ-PICCSMPSSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1" RELATED InChI [ChEBI] synonym: "Malt sugar" RELATED [KEGG_COMPOUND] synonym: "maltobiose" RELATED [NIST_Chemistry_WebBook] synonym: "Maltose" EXACT [KEGG_COMPOUND] synonym: "maltose" EXACT [UniProt] synonym: "Malzzucker" RELATED [ChEBI] synonym: "OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] xref: Beilstein:1292747 "Beilstein" xref: CAS:69-79-4 "NIST Chemistry WebBook" xref: DrugBank:DB03323 xref: KEGG:C00208 xref: KEGG:D00044 xref: KEGG:G00275 xref: KNApSAcK:C00001140 xref: PMID:16332759 "Europe PMC" xref: PMID:17723085 "Europe PMC" xref: PMID:22094343 "Europe PMC" xref: PMID:22185612 "Europe PMC" xref: PMID:22246222 "Europe PMC" xref: PMID:22252265 "Europe PMC" xref: PMID:22411612 "Europe PMC" xref: PMID:22424089 "Europe PMC" xref: PMID:22451670 "Europe PMC" xref: PMID:22469630 "Europe PMC" xref: PMID:22529943 "Europe PMC" xref: PMID:22573161 "Europe PMC" xref: PMID:22669197 "Europe PMC" xref: Reaxys:1292747 "Reaxys" xref: Wikipedia:Maltose is_a: CHEBI:17593 ! maltooligosaccharide is_a: CHEBI:24405 ! glycosylglucose relationship: has_role CHEBI:50505 ! sweetening agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17315 name: D-glucosamine namespace: chebi_ontology alt_id: CHEBI:12961 def: "An amino sugar whose structure comprises D-glucose having an amino substituent at position 2." [] subset: 3_STAR synonym: "2-amino-2-deoxy-D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "2-amino-D-2-deoxyglucose" RELATED [ChEBI] synonym: "2-deoxy-2-amino-D-glucose" RELATED [ChEBI] synonym: "C6H13NO5" RELATED FORMULA [ChEBI] synonym: "D-GlcN" RELATED [JCBN] synonym: "D-glucosamine" EXACT IUPAC_NAME [IUPAC] xref: HMDB:HMDB01514 xref: PMID:19067146 "Europe PMC" xref: PMID:59831 "Europe PMC" xref: Reaxys:1724602 "Reaxys" is_a: CHEBI:5417 ! glucosamine relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17326 name: nucleoside triphosphate namespace: chebi_ontology alt_id: CHEBI:13411 alt_id: CHEBI:14677 alt_id: CHEBI:25610 alt_id: CHEBI:7442 alt_id: CHEBI:7655 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "372.949" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "388.09680" RELATED MASS [ChEBI] synonym: "C5H12O13P3R" RELATED FORMULA [ChEBI] synonym: "C[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "NTP" RELATED [KEGG_COMPOUND] synonym: "Nucleoside triphosphate" EXACT [KEGG_COMPOUND] synonym: "nucleoside triphosphates" RELATED [ChEBI] xref: KEGG:C00201 is_a: CHEBI:25608 ! nucleoside phosphate relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:58104 ! nucleoside triphosphate(3-) [Term] id: CHEBI:17334 name: penicillin namespace: chebi_ontology alt_id: CHEBI:14742 alt_id: CHEBI:25869 alt_id: CHEBI:7961 def: "Any member of the group of substituted penams containing two methyl substituents at position 2, a carboxylate substituent at position 3 and a carboxamido group at position 6." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "243.044" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "243.26000" RELATED MASS [ChEBI] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "C9H11N2O4SR" RELATED FORMULA [ChEBI] synonym: "Penicillin" EXACT [KEGG_COMPOUND] synonym: "penicillins" EXACT IUPAC_NAME [IUPAC] synonym: "penicillins" RELATED [ChEBI] xref: KEGG:C00395 xref: PMID:11851248 "Europe PMC" xref: PMID:12833570 "Europe PMC" xref: PMID:1502708 "Europe PMC" xref: PMID:16033609 "Europe PMC" xref: PMID:7061385 "Europe PMC" xref: PMID:7798534 "Europe PMC" xref: Wikipedia:Penicillin is_a: CHEBI:25865 ! penicillanic acids relationship: has_functional_parent CHEBI:16705 ! 6-aminopenicillanic acid relationship: is_conjugate_acid_of CHEBI:51356 ! penicillinate anion [Term] id: CHEBI:17348 name: D-aldohexose 6-phosphate namespace: chebi_ontology alt_id: CHEBI:12991 def: "Any D-aldose having a six-carbon chain with a phosphate group at C-6." [] subset: 3_STAR synonym: "6-O-phosphono-D-glycero-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "C6H13O9P" RELATED FORMULA [ChEBI] synonym: "D-glycero-hexose 6-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:2559 ! aldohexose 6-phosphate is_a: CHEBI:4195 ! D-hexose 6-phosphate [Term] id: CHEBI:17359 name: sulfite namespace: chebi_ontology alt_id: CHEBI:15139 alt_id: CHEBI:45548 def: "Sulfite is an inorganic anion, which is the conjugate base of hydrogen sulfite." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "79.957" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "80.06420" RELATED MASS [ChEBI] synonym: "[O-]S([O-])=O" RELATED SMILES [ChEBI] synonym: "[SO3](2-)" RELATED [IUPAC] synonym: "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2" RELATED InChI [ChEBI] synonym: "LSNNMFCWUKXFEE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "O3S" RELATED FORMULA [ChEBI] synonym: "SO3" RELATED [ChEBI] synonym: "SO3(2-)" RELATED [IUPAC] synonym: "sulfite" EXACT IUPAC_NAME [IUPAC] synonym: "sulfite" EXACT [UniProt] synonym: "SULFITE ION" RELATED [PDBeChem] synonym: "sulphite" RELATED [ChEBI] synonym: "trioxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14265-45-3 "ChemIDplus" xref: Gmelin:1449 "Gmelin" xref: PDBeChem:SO3 is_a: CHEBI:33482 ! sulfur oxoanion is_a: CHEBI:48154 ! sulfur oxide is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:17137 ! hydrogensulfite [Term] id: CHEBI:17368 name: hypoxanthine namespace: chebi_ontology alt_id: CHEBI:14431 alt_id: CHEBI:24762 alt_id: CHEBI:43237 alt_id: CHEBI:5841 def: "A purine nucleobase that consists of purine bearing an oxo substituent at position 6." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,7-dihydro-6H-purin-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "136.039" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "136.11162" RELATED MASS [ChEBI] synonym: "6(1H)-purinone" RELATED [NIST_Chemistry_WebBook] synonym: "6-oxopurine" RELATED [NIST_Chemistry_WebBook] synonym: "9H-purin-6(1H)-one" RELATED [NIST_Chemistry_WebBook] synonym: "C5H4N4O" RELATED FORMULA [KEGG_COMPOUND] synonym: "FDGQSTZJBFJUBT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Hyp" RELATED [CBN] synonym: "HYPOXANTHINE" EXACT [PDBeChem] synonym: "Hypoxanthine" EXACT [KEGG_COMPOUND] synonym: "hypoxanthine" EXACT [UniProt] synonym: "InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)" RELATED InChI [ChEBI] synonym: "O=c1[nH]cnc2nc[nH]c12" RELATED SMILES [ChEBI] synonym: "purin-6(1H)-one" RELATED [NIST_Chemistry_WebBook] synonym: "Purine-6-ol" RELATED [KEGG_COMPOUND] xref: Beilstein:5811 "Beilstein" xref: CAS:68-94-0 "ChemIDplus" xref: DrugBank:DB04076 xref: ECMDB:ECMDB00157 xref: Gmelin:464558 "Gmelin" xref: HMDB:HMDB00157 xref: KEGG:C00262 xref: KNApSAcK:C00001502 xref: MetaCyc:HYPOXANTHINE xref: PDBeChem:HPA xref: PMID:14253484 "Europe PMC" xref: PMID:22735334 "Europe PMC" xref: PMID:23400363 "Europe PMC" xref: PMID:23670363 "Europe PMC" xref: Reaxys:5811 "Reaxys" xref: Wikipedia:Hypoxanthine xref: YMDB:YMDB00555 is_a: CHEBI:25810 ! oxopurine is_a: CHEBI:26386 ! purine nucleobase is_a: CHEBI:67142 ! nucleobase analogue relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:17393 name: D-allose namespace: chebi_ontology alt_id: CHEBI:12906 alt_id: CHEBI:20900 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "180.15588" RELATED MASS [ChEBI] synonym: "C6H12O6" RELATED FORMULA [ChEBI] synonym: "D-All" RELATED [JCBN] synonym: "D-allo-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "D-allose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:17608 ! D-aldohexose is_a: CHEBI:37690 ! allose [Term] id: CHEBI:17418 name: valeric acid namespace: chebi_ontology alt_id: CHEBI:113448 alt_id: CHEBI:27263 alt_id: CHEBI:27264 alt_id: CHEBI:43606 alt_id: CHEBI:44803 alt_id: CHEBI:7980 def: "A straight-chain saturated fatty acid containing five carbon atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-butanecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "1-butanecarboxylic acid" RELATED [ChemIDplus] synonym: "102.068" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "102.068" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "102.13170" RELATED MASS [ChEBI] synonym: "C5H10O2" RELATED FORMULA [ChEBI] synonym: "CCCCC(O)=O" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]3-COOH" RELATED [IUPAC] synonym: "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" RELATED InChI [ChEBI] synonym: "n-BuCOOH" RELATED [ChEBI] synonym: "n-Pentanoate" RELATED [KEGG_COMPOUND] synonym: "n-pentanoic acid" RELATED [ChemIDplus] synonym: "n-Valeric acid" RELATED [KEGG_COMPOUND] synonym: "n-valeric acid" RELATED [ChemIDplus] synonym: "NQPDZGIKBAWPEJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Pentanoate" RELATED [KEGG_COMPOUND] synonym: "PENTANOIC ACID" RELATED [PDBeChem] synonym: "Pentanoic acid" RELATED [KEGG_COMPOUND] synonym: "pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "pentoic acid" RELATED [ChEBI] synonym: "propylacetic acid" RELATED [ChemIDplus] synonym: "Valerate" RELATED [KEGG_COMPOUND] synonym: "Valerianic acid" RELATED [KEGG_COMPOUND] synonym: "Valeriansaeure" RELATED [ChEBI] synonym: "Valeric acid" EXACT [KEGG_COMPOUND] synonym: "valeric acid, normal" RELATED [ChemIDplus] xref: Beilstein:969454 "Beilstein" xref: CAS:109-52-4 "KEGG COMPOUND" xref: DrugBank:DB02406 xref: Gmelin:26714 "Gmelin" xref: HMDB:HMDB00892 xref: KEGG:C00803 xref: KNApSAcK:C00001208 xref: LIPID_MAPS_instance:LMFA01010005 "LIPID MAPS" xref: PDBeChem:PEI xref: PMID:20507156 "Europe PMC" xref: Reaxys:969454 "Reaxys" is_a: CHEBI:26666 ! short-chain fatty acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:31011 ! valerate [Term] id: CHEBI:17478 name: aldehyde namespace: chebi_ontology alt_id: CHEBI:13432 alt_id: CHEBI:13753 alt_id: CHEBI:13805 alt_id: CHEBI:13806 alt_id: CHEBI:22291 alt_id: CHEBI:2554 alt_id: CHEBI:8750 def: "A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "29.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "29.01800" RELATED MASS [ChEBI] synonym: "[H]C([*])=O" RELATED SMILES [ChEBI] synonym: "aldehido" RELATED [ChEBI] synonym: "aldehidos" RELATED [ChEBI] synonym: "Aldehyd" RELATED [ChEBI] synonym: "Aldehyde" EXACT [KEGG_COMPOUND] synonym: "aldehyde" EXACT [ChEBI] synonym: "aldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "aldehydes" EXACT IUPAC_NAME [IUPAC] synonym: "aldehydes" RELATED [ChEBI] synonym: "aldehydum" RELATED [ChEBI] synonym: "an aldehyde" RELATED [UniProt] synonym: "CHOR" RELATED FORMULA [ChEBI] synonym: "RC(=O)H" RELATED [IUPAC] synonym: "RCHO" RELATED [KEGG_COMPOUND] xref: KEGG:C00071 is_a: CHEBI:36586 ! carbonyl compound relationship: has_part CHEBI:42485 ! formyl group [Term] id: CHEBI:17489 name: 3',5'-cyclic AMP namespace: chebi_ontology alt_id: CHEBI:11673 alt_id: CHEBI:1325 alt_id: CHEBI:19827 alt_id: CHEBI:41588 def: "A 3',5'-cyclic purine nucleotide having having adenine as the nucleobase." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3',5'-Cyclic AMP" EXACT [KEGG_COMPOUND] synonym: "329.053" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "329.20614" RELATED MASS [ChEBI] synonym: "adenosine 3',5'-(hydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "adenosine 3',5'-cyclic monophosphate" RELATED [NIST_Chemistry_WebBook] synonym: "Adenosine 3',5'-cyclic phosphate" RELATED [KEGG_COMPOUND] synonym: "Adenosine 3',5'-phosphate" RELATED [KEGG_COMPOUND] synonym: "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" RELATED [PDBeChem] synonym: "C10H12N5O6P" RELATED FORMULA [KEGG_COMPOUND] synonym: "cAMP" RELATED [KEGG_COMPOUND] synonym: "Cyclic adenylic acid" RELATED [KEGG_COMPOUND] synonym: "Cyclic AMP" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "IVOMOUWHDPKRLL-KQYNXXCUSA-N" RELATED InChIKey [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O" RELATED SMILES [ChEBI] xref: Beilstein:52645 "Beilstein" xref: CAS:60-92-4 "NIST Chemistry WebBook" xref: DrugBank:DB02527 xref: HMDB:HMDB00058 xref: KEGG:C00575 xref: KNApSAcK:C00001497 xref: MetaCyc:CAMP xref: PDBeChem:CMP xref: PMID:16295522 "Europe PMC" xref: PMID:18372334 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: Reaxys:52645 "Reaxys" xref: Wikipedia:Cyclic_AMP is_a: CHEBI:19834 ! 3',5'-cyclic purine nucleotide is_a: CHEBI:61296 ! adenyl ribonucleotide relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:58165 ! 3',5'-cyclic AMP(1-) [Term] id: CHEBI:17497 name: glycolic acid namespace: chebi_ontology alt_id: CHEBI:24390 alt_id: CHEBI:42865 alt_id: CHEBI:5475 def: "A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-Hydroxyacetic acid" RELATED [ChemIDplus] synonym: "2-Hydroxyethanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "76.016" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "76.05136" RELATED MASS [ChEBI] synonym: "AEMRFAOFKBGASW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "alpha-Hydroxyacetic acid" RELATED [HMDB] synonym: "alpha-hydroxyacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "C2H4O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "GLYCOLIC ACID" EXACT [PDBeChem] synonym: "Glycolic acid" EXACT [KEGG_COMPOUND] synonym: "Glycollic acid" RELATED [ChemIDplus] synonym: "HOCH2COOH" RELATED [NIST_Chemistry_WebBook] synonym: "Hydroxyacetic acid" RELATED [KEGG_COMPOUND] synonym: "hydroxyacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Hydroxyethanoic acid" RELATED [ChemIDplus] synonym: "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)" RELATED InChI [ChEBI] synonym: "OCC(O)=O" RELATED SMILES [ChEBI] xref: CAS:79-14-1 "ChemIDplus" xref: Drug_Central:4645 "DrugCentral" xref: HMDB:HMDB00115 xref: KEGG:C00160 xref: KNApSAcK:C00007461 xref: LIPID_MAPS_instance:LMFA01050148 "LIPID MAPS" xref: MetaCyc:GLYCOLLATE xref: PDBeChem:GOA xref: PMID:14585457 "Europe PMC" xref: PMID:15662707 "Europe PMC" xref: PMID:15716481 "Europe PMC" xref: PMID:15716482 "Europe PMC" xref: PMID:18498500 "Europe PMC" xref: PMID:19025792 "Europe PMC" xref: PMID:21950544 "Europe PMC" xref: PMID:22044748 "Europe PMC" xref: PMID:22128110 "Europe PMC" xref: PMID:22360337 "Europe PMC" xref: PMID:22421647 "Europe PMC" xref: Reaxys:1209322 "Reaxys" xref: Wikipedia:Glycolic_acid is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:50176 ! keratolytic drug relationship: is_conjugate_acid_of CHEBI:29805 ! glycolate [Term] id: CHEBI:17514 name: cyanide namespace: chebi_ontology alt_id: CHEBI:14038 alt_id: CHEBI:3969 alt_id: CHEBI:41780 def: "A pseudohalide anion that is the conjugate base of hydrogen cyanide." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "26.003" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "26.01740" RELATED MASS [ChEBI] synonym: "[C-]#N" RELATED SMILES [ChEBI] synonym: "CN" RELATED FORMULA [KEGG_COMPOUND] synonym: "CN(-)" RELATED [IUPAC] synonym: "CN-" RELATED [KEGG_COMPOUND] synonym: "Cyanide" EXACT [KEGG_COMPOUND] synonym: "Cyanide" EXACT [ChEBI] synonym: "cyanide" EXACT IUPAC_NAME [IUPAC] synonym: "cyanide" EXACT [UniProt] synonym: "CYANIDE ION" RELATED [PDBeChem] synonym: "InChI=1S/CN/c1-2/q-1" RELATED InChI [ChEBI] synonym: "nitridocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Prussiate" RELATED [KEGG_COMPOUND] synonym: "XFXPMWWXUTWYJX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Zyanid" RELATED [ChEBI] xref: Beilstein:1900509 "Beilstein" xref: CAS:57-12-5 "KEGG COMPOUND" xref: Gmelin:89 "Gmelin" xref: HMDB:HMDB02084 xref: KEGG:C00177 xref: MetaCyc:CPD-13584 xref: PDBeChem:CYN xref: PMID:11386635 "Europe PMC" xref: PMID:14871577 "Europe PMC" xref: PMID:17554165 "Europe PMC" xref: PMID:7839575 "Europe PMC" xref: Reaxys:1900509 "Reaxys" xref: Wikipedia:Cyanide is_a: CHEBI:36828 ! pseudohalide anion relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor relationship: is_conjugate_base_of CHEBI:18407 ! hydrogen cyanide relationship: is_conjugate_base_of CHEBI:36856 ! hydrogen isocyanide [Term] id: CHEBI:17522 name: alditol namespace: chebi_ontology alt_id: CHEBI:13754 alt_id: CHEBI:22298 alt_id: CHEBI:2556 def: "A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group)." [] subset: 3_STAR synonym: "(CH2O)nC2H6O2" RELATED FORMULA [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "Alditol" EXACT [KEGG_COMPOUND] synonym: "alditols" RELATED [ChEBI] synonym: "Glycitol" RELATED [KEGG_COMPOUND] synonym: "Sugar alcohol" RELATED [KEGG_COMPOUND] xref: KEGG:C00717 xref: Wikipedia:Glycerin is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:17544 name: hydrogencarbonate namespace: chebi_ontology alt_id: CHEBI:13363 alt_id: CHEBI:22863 alt_id: CHEBI:40961 alt_id: CHEBI:5589 def: "The carbon oxoanion resulting from the removal of a proton from carbonic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "60.993" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "61.01684" RELATED MASS [ChEBI] synonym: "[CO2(OH)](-)" RELATED [IUPAC] synonym: "Acid carbonate" RELATED [KEGG_COMPOUND] synonym: "Bicarbonate" RELATED [KEGG_COMPOUND] synonym: "BICARBONATE ION" RELATED [PDBeChem] synonym: "BVKZGUZCCUSVTD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "CHO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "HCO3(-)" RELATED [IUPAC] synonym: "HCO3-" RELATED [KEGG_COMPOUND] synonym: "hydrogen(trioxidocarbonate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogencarbonate" EXACT [KEGG_COMPOUND] synonym: "hydrogencarbonate" EXACT [UniProt] synonym: "hydrogencarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogencarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxocarbonate(IV)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" RELATED InChI [ChEBI] synonym: "OC([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:3903504 "Beilstein" xref: CAS:71-52-3 "ChemIDplus" xref: Gmelin:49249 "Gmelin" xref: HMDB:HMDB00595 xref: KEGG:C00288 xref: PDBeChem:BCT is_a: CHEBI:35604 ! carbon oxoanion relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:41609 ! carbonate relationship: is_conjugate_base_of CHEBI:28976 ! carbonic acid [Term] id: CHEBI:17561 name: L-cysteine namespace: chebi_ontology alt_id: CHEBI:13095 alt_id: CHEBI:21261 alt_id: CHEBI:41227 alt_id: CHEBI:41700 alt_id: CHEBI:41768 alt_id: CHEBI:41781 alt_id: CHEBI:41811 alt_id: CHEBI:6207 def: "An optically active form of cysteine having L-configuration." [] subset: 3_STAR synonym: "(2R)-2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "(2R)-2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "(R)-2-amino-3-mercaptopropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "121.020" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "121.15800" RELATED MASS [ChEBI] synonym: "C" RELATED [ChEBI] synonym: "C3H7NO2S" RELATED FORMULA [ChEBI] synonym: "Cys" RELATED [ChEBI] synonym: "CYSTEINE" RELATED [PDBeChem] synonym: "E 920" RELATED [ChEBI] synonym: "E-920" RELATED [ChEBI] synonym: "E920" RELATED [ChEBI] synonym: "FREE CYSTEINE" RELATED [PDBeChem] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-2-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "L-Cystein" RELATED [ChEBI] synonym: "L-Cysteine" EXACT [KEGG_COMPOUND] synonym: "L-cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "L-Zystein" RELATED [ChEBI] synonym: "N[C@@H](CS)C(O)=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-REOHCLBHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1721408 "Beilstein" xref: CAS:52-90-4 "KEGG COMPOUND" xref: Drug_Central:769 "DrugCentral" xref: DrugBank:DB00151 xref: ECMDB:ECMDB00574 xref: Gmelin:49991 "Gmelin" xref: HMDB:HMDB00574 xref: KEGG:C00097 xref: KEGG:D00026 xref: KNApSAcK:C00001351 xref: MetaCyc:CYS xref: PDBeChem:CYS xref: PMID:11732994 "Europe PMC" xref: PMID:13761469 "Europe PMC" xref: PMID:22735334 "Europe PMC" xref: Reaxys:1721408 "Reaxys" xref: Wikipedia:Cysteine xref: YMDB:YMDB00046 is_a: CHEBI:15356 ! cysteine is_a: CHEBI:26650 ! serine family amino acid relationship: has_role CHEBI:64577 ! flour treatment agent relationship: has_role CHEBI:77703 ! EC 4.3.1.3 (histidine ammonia-lyase) inhibitor relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32445 ! L-cysteinium relationship: is_enantiomer_of CHEBI:16375 ! D-cysteine relationship: is_tautomer_of CHEBI:35235 ! L-cysteine zwitterion [Term] id: CHEBI:17562 name: cytidine namespace: chebi_ontology alt_id: CHEBI:14063 alt_id: CHEBI:23515 alt_id: CHEBI:4053 alt_id: CHEBI:41649 alt_id: CHEBI:41686 alt_id: CHEBI:41704 def: "A pyrimidine nucleoside in which cytosine is attached to ribofuranose via a beta-N(1)-glycosidic bond." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-beta-D-Ribofuranosylcytosine" RELATED [HMDB] synonym: "1beta-D-ribofuranosylcytosine" RELATED [NIST_Chemistry_WebBook] synonym: "243.086" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "243.21674" RELATED MASS [ChEBI] synonym: "4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE" RELATED [PDBeChem] synonym: "4-amino-1-beta-D-ribofuranosylpyrimidin-2(1H)-one" RELATED [ChEBI] synonym: "4-amino-1beta-D-ribofuranosyl-2(1H)-pyrimidinone" RELATED [NIST_Chemistry_WebBook] synonym: "C9H13N3O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cyd" RELATED [CBN] synonym: "Cytidin" RELATED [ChEBI] synonym: "Cytidine" EXACT [KEGG_COMPOUND] synonym: "cytidine" EXACT [UniProt] synonym: "cytidine" EXACT IUPAC_NAME [IUPAC] synonym: "Cytosine riboside" RELATED [HMDB] synonym: "cytosine-1beta-D-Ribofuranoside" RELATED [HMDB] synonym: "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1" RELATED SMILES [ChEBI] synonym: "UHDGCWIWMRVCDJ-XVFCMESISA-N" RELATED InChIKey [ChEBI] synonym: "Zytidin" RELATED [ChEBI] xref: Beilstein:89173 "Beilstein" xref: CAS:65-46-3 "ChemIDplus" xref: DrugBank:DB02097 xref: Gmelin:84763 "Gmelin" xref: HMDB:HMDB00089 xref: KEGG:C00475 xref: KEGG:D07769 xref: MetaCyc:CYTIDINE xref: PDBeChem:CTN xref: PMID:12591866 "Europe PMC" xref: PMID:15621516 "Europe PMC" xref: PMID:19194376 "Europe PMC" xref: Reaxys:89173 "Reaxys" xref: Wikipedia:Cytidine is_a: CHEBI:23524 ! cytidines relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17568 name: uracil namespace: chebi_ontology alt_id: CHEBI:15288 alt_id: CHEBI:27210 alt_id: CHEBI:46375 alt_id: CHEBI:9882 def: "A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "112.027" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "112.08684" RELATED MASS [ChEBI] synonym: "2,4(1H,3H)-pyrimidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "2,4-Dioxopyrimidine" RELATED [HMDB] synonym: "2,4-Pyrimidinedione" RELATED [HMDB] synonym: "C4H4N2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)" RELATED InChI [ChEBI] synonym: "ISAKRJDGNUQOIC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "O=c1cc[nH]c(=O)[nH]1" RELATED SMILES [ChEBI] synonym: "pyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "U" RELATED [ChEBI] synonym: "Ura" RELATED [CBN] synonym: "URACIL" EXACT [PDBeChem] synonym: "Uracil" EXACT [KEGG_COMPOUND] synonym: "uracil" EXACT [UniProt] synonym: "Urazil" RELATED [ChEBI] xref: Beilstein:606623 "Beilstein" xref: CAS:66-22-8 "NIST Chemistry WebBook" xref: DrugBank:DB03419 xref: Gmelin:2896 "Gmelin" xref: HMDB:HMDB00300 xref: KEGG:C00106 xref: KEGG:D00027 xref: KNApSAcK:C00001513 xref: MetaCyc:URACIL xref: PDBeChem:URA xref: PMID:11279060 "Europe PMC" xref: PMID:12855717 "Europe PMC" xref: PMID:15274295 "Europe PMC" xref: PMID:16834123 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:18533995 "Europe PMC" xref: PMID:18815805 "Europe PMC" xref: PMID:19175333 "Europe PMC" xref: PMID:22020693 "Europe PMC" xref: PMID:22074393 "Europe PMC" xref: PMID:22120518 "Europe PMC" xref: PMID:22171528 "Europe PMC" xref: PMID:22237209 "Europe PMC" xref: PMID:22299724 "Europe PMC" xref: PMID:22356544 "Europe PMC" xref: PMID:22447672 "Europe PMC" xref: PMID:22483865 "Europe PMC" xref: PMID:22567906 "Europe PMC" xref: PMID:22685418 "Europe PMC" xref: PMID:3654008 "Europe PMC" xref: Reaxys:606623 "Reaxys" xref: Wikipedia:Uracil is_a: CHEBI:26432 ! pyrimidine nucleobase is_a: CHEBI:38337 ! pyrimidone relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_tautomer_of CHEBI:43254 ! (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one [Term] id: CHEBI:17578 name: toluene namespace: chebi_ontology alt_id: CHEBI:15248 alt_id: CHEBI:27022 alt_id: CHEBI:44023 alt_id: CHEBI:9624 def: "The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "92.063" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "92.13842" RELATED MASS [ChEBI] synonym: "C7H8" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cc1ccccc1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" RELATED InChI [ChEBI] synonym: "methylbenzene" RELATED [PDBeChem] synonym: "phenylmethane" RELATED [ChemIDplus] synonym: "Toluen" RELATED [NIST_Chemistry_WebBook] synonym: "TOLUENE" EXACT [PDBeChem] synonym: "Toluene" EXACT [KEGG_COMPOUND] synonym: "toluene" EXACT [ChEBI] synonym: "toluene" EXACT [UniProt] synonym: "toluene" EXACT IUPAC_NAME [IUPAC] synonym: "Toluol" RELATED [NIST_Chemistry_WebBook] synonym: "YXFVVABEGXRONW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:635760 "Beilstein" xref: CAS:108-88-3 "ChemIDplus" xref: DrugBank:DB01900 xref: Gmelin:2456 "Gmelin" xref: KEGG:C01455 xref: PDBeChem:MBN xref: PMID:11182169 "Europe PMC" xref: PMID:11314682 "Europe PMC" xref: PMID:11846266 "Europe PMC" xref: PMID:11991009 "Europe PMC" xref: PMID:12062755 "Europe PMC" xref: PMID:12213539 "Europe PMC" xref: PMID:12237258 "Europe PMC" xref: PMID:12784113 "Europe PMC" xref: PMID:12876426 "Europe PMC" xref: PMID:14512097 "Europe PMC" xref: PMID:14559343 "Europe PMC" xref: PMID:14605898 "Europe PMC" xref: PMID:15015825 "Europe PMC" xref: PMID:15019953 "Europe PMC" xref: PMID:15119846 "Europe PMC" xref: PMID:15193425 "Europe PMC" xref: PMID:15542760 "Europe PMC" xref: PMID:15567510 "Europe PMC" xref: PMID:15695158 "Europe PMC" xref: PMID:15796064 "Europe PMC" xref: PMID:16316648 "Europe PMC" xref: PMID:16348226 "Europe PMC" xref: PMID:16601996 "Europe PMC" xref: PMID:17145141 "Europe PMC" xref: PMID:17175136 "Europe PMC" xref: PMID:17497535 "Europe PMC" xref: PMID:17725881 "Europe PMC" xref: PMID:18397809 "Europe PMC" xref: PMID:18832024 "Europe PMC" xref: PMID:19261054 "Europe PMC" xref: PMID:19384711 "Europe PMC" xref: PMID:19429395 "Europe PMC" xref: PMID:19635754 "Europe PMC" xref: PMID:19765629 "Europe PMC" xref: PMID:19825861 "Europe PMC" xref: PMID:19928203 "Europe PMC" xref: PMID:19969016 "Europe PMC" xref: PMID:20347282 "Europe PMC" xref: PMID:20837561 "Europe PMC" xref: PMID:21430649 "Europe PMC" xref: PMID:21655021 "Europe PMC" xref: PMID:21731073 "Europe PMC" xref: PMID:21802510 "Europe PMC" xref: PMID:21840036 "Europe PMC" xref: Reaxys:635760 "Reaxys" xref: UM-BBD_compID:c0114 "UM-BBD" xref: Wikipedia:Toluene is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:27024 ! toluenes is_a: CHEBI:38975 ! methylbenzene relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:48873 ! cholinergic antagonist relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:62803 ! fuel additive [Term] id: CHEBI:17588 name: L-homocysteine namespace: chebi_ontology alt_id: CHEBI:13122 alt_id: CHEBI:21329 alt_id: CHEBI:43117 alt_id: CHEBI:6245 def: "Homocysteine with L configuration." [] subset: 3_STAR synonym: "(2S)-2-amino-4-sulfanylbutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "135.035" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "135.18500" RELATED MASS [ChEBI] synonym: "C4H9NO2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "FFFHZYDWPBMWHY-VKHMYHEASA-N" RELATED InChIKey [ChEBI] synonym: "Hcy" RELATED [ChEBI] synonym: "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-2-Amino-4-mercaptobutyric acid" RELATED [KEGG_COMPOUND] synonym: "L-2-amino-4-mercaptobutyric acid" RELATED [ChEBI] synonym: "L-Homocysteine" EXACT [KEGG_COMPOUND] synonym: "L-homocysteine" EXACT [ChEBI] synonym: "N[C@@H](CCS)C(O)=O" RELATED SMILES [ChEBI] xref: CAS:6027-13-0 "KEGG COMPOUND" xref: DrugBank:DB04422 xref: HMDB:HMDB00742 xref: KEGG:C00155 xref: KNApSAcK:C00001365 xref: MetaCyc:HOMO-CYS xref: PDBeChem:HCS xref: PMID:11686577 "Europe PMC" xref: PMID:15131313 "Europe PMC" xref: PMID:15365276 "Europe PMC" xref: PMID:16702349 "Europe PMC" xref: PMID:19383686 "Europe PMC" xref: Reaxys:1721685 "Reaxys" is_a: CHEBI:17230 ! homocysteine is_a: CHEBI:26650 ! serine family amino acid relationship: is_conjugate_acid_of CHEBI:63072 ! L-homocysteinate relationship: is_tautomer_of CHEBI:58199 ! L-homocysteine zwitterion [Term] id: CHEBI:17593 name: maltooligosaccharide namespace: chebi_ontology alt_id: CHEBI:11169 alt_id: CHEBI:18926 alt_id: CHEBI:543 alt_id: CHEBI:64478 def: "A glucooligosaccharide derived from glucose monomers linked via alpha-D-1,4 bonds as in maltose. The term is commonly applied to the series of linear oligosaccharides composed of two, three, four, five and six such units of glucose." [] subset: 3_STAR synonym: "(1->4)-alpha-D-glucooligosaccharides" RELATED [ChEBI] synonym: "maltooligosaccharides" RELATED [ChEBI] is_a: CHEBI:24268 ! glucooligosaccharide [Term] id: CHEBI:17596 name: inosine namespace: chebi_ontology alt_id: CHEBI:14456 alt_id: CHEBI:24841 alt_id: CHEBI:44407 alt_id: CHEBI:5927 def: "A purine nucleoside in which hypoxanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond." [] subset: 3_STAR synonym: "(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "268.081" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "268.22610" RELATED MASS [ChEBI] synonym: "9-(beta-D-ribofuranosyl)-9H-purin-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "9-beta-D-ribofuranosyl-9H-purin-6-ol" RELATED [IUPAC] synonym: "9-beta-D-ribofuranosylhypoxanthine" RELATED [NIST_Chemistry_WebBook] synonym: "C10H12N4O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "hypoxanthine D-riboside" RELATED [ChemIDplus] synonym: "hypoxanthosine" RELATED [ChemIDplus] synonym: "i" RELATED [ChEBI] synonym: "InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Inosin" RELATED [ChEBI] synonym: "inosina" RELATED INN [ChemIDplus] synonym: "INOSINE" EXACT [PDBeChem] synonym: "Inosine" EXACT [KEGG_COMPOUND] synonym: "inosine" EXACT [UniProt] synonym: "inosine" EXACT IUPAC_NAME [IUPAC] synonym: "inosine" RELATED INN [ChemIDplus] synonym: "inosinum" RELATED INN [ChemIDplus] synonym: "OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12" RELATED SMILES [ChEBI] synonym: "UGQMRVRMYYASKQ-KQYNXXCUSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:624889 "Beilstein" xref: CAS:58-63-9 "KEGG COMPOUND" xref: Drug_Central:3301 "DrugCentral" xref: ECMDB:ECMDB00195 xref: Gmelin:489332 "Gmelin" xref: HMDB:HMDB00195 xref: KEGG:C00294 xref: KEGG:D00054 xref: KNApSAcK:C00019692 xref: MetaCyc:INOSINE xref: PDBeChem:NOS xref: PMID:22770225 "Europe PMC" xref: Reaxys:624889 "Reaxys" xref: Wikipedia:Inosine xref: YMDB:YMDB00510 is_a: CHEBI:24844 ! inosines relationship: has_functional_parent CHEBI:17368 ! hypoxanthine relationship: has_functional_parent CHEBI:46998 ! ribofuranose relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17608 name: D-aldohexose namespace: chebi_ontology alt_id: CHEBI:12990 alt_id: CHEBI:21038 def: "Any D-aldose having a chain of six carbon atoms in the molecule." [] subset: 3_STAR synonym: "C6H12O6" RELATED FORMULA [ChEBI] synonym: "D-aldohexose" EXACT [UniProt] synonym: "D-aldohexoses" RELATED [ChEBI] is_a: CHEBI:33917 ! aldohexose is_a: CHEBI:4194 ! D-hexose [Term] id: CHEBI:17617 name: L-fuculose namespace: chebi_ontology alt_id: CHEBI:13103 alt_id: CHEBI:21295 alt_id: CHEBI:58208 alt_id: CHEBI:6219 def: "A a deoxyketohexose comprising L-tagatose with the hydroxy group at position 6 replaced by hydrogen." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "164.068" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "164.15650" RELATED MASS [ChEBI] synonym: "6-deoxy-L-lyxo-hex-2-ulose" RELATED [IUPAC] synonym: "6-deoxy-L-tagatose" EXACT IUPAC_NAME [IUPAC] synonym: "C6H12O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO" RELATED SMILES [ChEBI] synonym: "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1" RELATED InChI [ChEBI] synonym: "L-Fuculose" EXACT [KEGG_COMPOUND] synonym: "L-fuculose" EXACT [UniProt] synonym: "QZNPNKJXABGCRC-LFRDXLMFSA-N" RELATED InChIKey [ChEBI] xref: KEGG:C01721 xref: KNApSAcK:C00019650 is_a: CHEBI:24965 ! deoxyketohexose relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17630 name: kanamycin A namespace: chebi_ontology alt_id: CHEBI:14487 alt_id: CHEBI:24945 alt_id: CHEBI:24947 alt_id: CHEBI:43482 alt_id: CHEBI:6106 subset: 3_STAR synonym: "(1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "4,6-diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside" RELATED [ChemIDplus] synonym: "4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside" RELATED [ChemIDplus] synonym: "484.238" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "484.49860" RELATED MASS [ChEBI] synonym: "C18H36N4O11" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1" RELATED InChI [ChEBI] synonym: "KANAMYCIN A" EXACT [PDBeChem] synonym: "Kanamycin A" EXACT [KEGG_COMPOUND] synonym: "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine" RELATED [ChemIDplus] synonym: "SBUJHOSQTJFQJX-NOAMYHISSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:61647 "Beilstein" xref: CAS:59-01-8 "ChemIDplus" xref: Drug_Central:1519 "DrugCentral" xref: DrugBank:DB01172 xref: Gmelin:2044856 "Gmelin" xref: KEGG:C01822 xref: LINCS:LSM-5261 xref: PDBeChem:KAN xref: PMID:22907688 "Europe PMC" xref: PMID:24336356 "Europe PMC" xref: PMID:24566637 "Europe PMC" xref: Wikipedia:Kanamycin is_a: CHEBI:24951 ! kanamycins relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_base_of CHEBI:58214 ! kanamycin A(4+) [Term] id: CHEBI:17632 name: nitrate namespace: chebi_ontology alt_id: CHEBI:14654 alt_id: CHEBI:44487 alt_id: CHEBI:71263 def: "A nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "61.988" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "62.00490" RELATED MASS [ChEBI] synonym: "[NO3](-)" RELATED [IUPAC] synonym: "[O-][N+]([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/NO3/c2-1(3)4/q-1" RELATED InChI [ChEBI] synonym: "NHNBFGGVMKEFGY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "nitrate" EXACT [UniProt] synonym: "nitrate" EXACT IUPAC_NAME [IUPAC] synonym: "NITRATE ION" RELATED [PDBeChem] synonym: "nitrate(1-)" RELATED [ChemIDplus] synonym: "NO3" RELATED [ChEBI] synonym: "NO3" RELATED FORMULA [ChEBI] synonym: "NO3(-)" RELATED [IUPAC] synonym: "trioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxonitrate(V)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3587575 "Beilstein" xref: CAS:14797-55-8 "NIST Chemistry WebBook" xref: colombos:NITRATE xref: Gmelin:1574 "Gmelin" xref: MetaCyc:NITRATE "SUBMITTER" xref: PDBeChem:NO3 xref: Wikipedia:Nitrate is_a: CHEBI:33458 ! nitrogen oxoanion is_a: CHEBI:62764 ! reactive nitrogen species is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_base_of CHEBI:48107 ! nitric acid [Term] id: CHEBI:17634 name: D-glucose namespace: chebi_ontology alt_id: CHEBI:12965 alt_id: CHEBI:20999 def: "A glucose with D-configuration." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "180.15588" RELATED MASS [ChEBI] synonym: "C6H12O6" RELATED FORMULA [ChEBI] synonym: "D(+)-glucose" RELATED [ChemIDplus] synonym: "D-(+)-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "D-gluco-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "dextrose" RELATED [NIST_Chemistry_WebBook] synonym: "grape sugar" RELATED [ChemIDplus] synonym: "Traubenzucker" RELATED [ChemIDplus] xref: CAS:50-99-7 "ChemIDplus" is_a: CHEBI:17234 ! glucose is_a: CHEBI:17608 ! D-aldohexose [Term] id: CHEBI:17650 name: cortisol namespace: chebi_ontology alt_id: CHEBI:14023 alt_id: CHEBI:24633 alt_id: CHEBI:3893 alt_id: CHEBI:58221 def: "A C21-steroid that is pregn-4-ene substituted by oxo groups at positions 3 and 20 and hydroxy groups at positions 11, 17 and 21. Cortisol is a corticosteroid hormone or glucocorticoid produced by zona fasciculata of the adrenal cortex, which is a part of the adrenal gland. It is usually referred to as the \"stress hormone\" as it is involved in response to stress and anxiety, controlled by corticotropin-releasing hormone (CRH). It increases blood pressure and blood sugar, and reduces immune responses" [] subset: 3_STAR synonym: "(11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "11beta,17,21-trihydroxypregn-4-ene-3,20-dione" EXACT IUPAC_NAME [IUPAC] synonym: "11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione" RELATED [NIST_Chemistry_WebBook] synonym: "11beta-hydrocortisone" RELATED [NIST_Chemistry_WebBook] synonym: "17-hydroxycorticosterone" RELATED [ChemIDplus] synonym: "362.209" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "362.45990" RELATED MASS [ChEBI] synonym: "4-pregnen-11beta,17alpha,21-triol-3,20-dione" RELATED [NIST_Chemistry_WebBook] synonym: "[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO" RELATED SMILES [ChEBI] synonym: "C21H30O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cortisol" EXACT [KEGG_COMPOUND] synonym: "cortisol" EXACT [UniProt] synonym: "hidrocortisona" RELATED INN [ChemIDplus] synonym: "Hydrocortisone" RELATED [KEGG_COMPOUND] synonym: "hydrocortisone" RELATED INN [ChemIDplus] synonym: "hydrocortisonum" RELATED INN [ChemIDplus] synonym: "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" RELATED InChI [ChEBI] synonym: "JYGXADMDTFJGBT-VWUMJDOOSA-N" RELATED InChIKey [ChEBI] synonym: "Kendall's compound F" RELATED [KEGG_COMPOUND] synonym: "Reichstein's substance M" RELATED [KEGG_COMPOUND] xref: Beilstein:1354819 "Beilstein" xref: CAS:50-23-7 "ChemIDplus" xref: colombos:HYDROCORTISONE xref: Drug_Central:1388 "DrugCentral" xref: DrugBank:DB00741 xref: KEGG:C00735 xref: KEGG:D00088 xref: LINCS:LSM-5980 xref: LIPID_MAPS_instance:LMST02030001 "LIPID MAPS" xref: Patent:US2602769 xref: PDBeChem:HCY xref: PMID:10438974 "Europe PMC" xref: PMID:2268561 "Europe PMC" xref: Wikipedia:Hydrocortisone is_a: CHEBI:24261 ! glucocorticoid is_a: CHEBI:35342 ! 17alpha-hydroxy steroid is_a: CHEBI:35344 ! 21-hydroxy steroid is_a: CHEBI:35346 ! 11beta-hydroxy steroid is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid is_a: CHEBI:61313 ! C21-steroid relationship: has_parent_hydride CHEBI:8386 ! pregnane relationship: has_role CHEBI:35472 ! anti-inflammatory drug relationship: has_role CHEBI:49167 ! anti-asthmatic drug relationship: has_role CHEBI:50857 ! anti-allergic agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17668 name: ribonucleoside diphosphate namespace: chebi_ontology alt_id: CHEBI:15046 alt_id: CHEBI:26557 alt_id: CHEBI:8845 subset: 3_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "292.983" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "293.083" RELATED MASS [KEGG_COMPOUND] synonym: "C5H11O10P2R" RELATED FORMULA [KEGG_COMPOUND] synonym: "Ribonucleoside diphosphate" EXACT [KEGG_COMPOUND] synonym: "ribonucleoside diphosphate" EXACT [UniProt] synonym: "ribonucleoside diphosphates" RELATED [ChEBI] xref: KEGG:C03723 is_a: CHEBI:16862 ! nucleoside diphosphate [Term] id: CHEBI:17677 name: CTP namespace: chebi_ontology alt_id: CHEBI:13286 alt_id: CHEBI:23522 alt_id: CHEBI:3285 alt_id: CHEBI:41675 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "482.985" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "483.15644" RELATED MASS [ChEBI] synonym: "5'-CTP" RELATED [ChemIDplus] synonym: "C9H16N3O14P3" RELATED FORMULA [KEGG_COMPOUND] synonym: "CTP" EXACT [KEGG_COMPOUND] synonym: "cytidine 5'-(tetrahydrogen triphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "Cytidine 5'-triphosphate" RELATED [KEGG_COMPOUND] synonym: "Cytidine triphosphate" RELATED [KEGG_COMPOUND] synonym: "CYTIDINE-5'-TRIPHOSPHATE" RELATED [PDBeChem] synonym: "H4ctp" RELATED [ChEBI] synonym: "InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1" RELATED SMILES [ChEBI] synonym: "PCDQPRRSZKQHHS-XVFCMESISA-N" RELATED InChIKey [ChEBI] xref: Beilstein:71190 "Beilstein" xref: CAS:65-47-4 "ChemIDplus" xref: DrugBank:DB02431 xref: Gmelin:723598 "Gmelin" xref: KEGG:C00063 xref: KNApSAcK:C00019639 xref: PDBeChem:CTP is_a: CHEBI:23521 ! cytidine 5'-phosphate is_a: CHEBI:37044 ! pyrimidine ribonucleoside 5'-triphosphate relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:37563 ! CTP(4-) relationship: is_conjugate_acid_of CHEBI:58231 ! CTP(3-) [Term] id: CHEBI:17687 name: glycocholic acid namespace: chebi_ontology alt_id: CHEBI:11894 alt_id: CHEBI:20215 alt_id: CHEBI:24378 alt_id: CHEBI:42804 alt_id: CHEBI:5464 def: "A bile acid glycine conjugate having cholic acid as the bile acid component." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine" RELATED [KEGG_COMPOUND] synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine" RELATED [ChEBI] synonym: "465.309" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "465.309" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "465.62270" RELATED MASS [ChEBI] synonym: "C26H43NO6" RELATED FORMULA [ChEBI] synonym: "C26H43NO6" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C" RELATED SMILES [ChEBI] synonym: "GLYCOCHOLIC ACID" EXACT [PDBeChem] synonym: "Glycocholic acid" EXACT [KEGG_COMPOUND] synonym: "InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1" RELATED InChI [ChEBI] synonym: "N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine" EXACT IUPAC_NAME [IUPAC] synonym: "N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine" RELATED [NIST_Chemistry_WebBook] synonym: "N-choloylglycine" RELATED [ChemIDplus] synonym: "RFDAIACWWDREDC-FRVQLJSFSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2955826 "Beilstein" xref: CAS:475-31-0 "ChemIDplus" xref: DrugBank:DB02691 xref: HMDB:HMDB00138 xref: KEGG:C01921 xref: KNApSAcK:C00030410 xref: LINCS:LSM-3222 xref: LIPID_MAPS_instance:LMST05030001 "LIPID MAPS" xref: MetaCyc:GLYCOCHOLIC_ACID xref: PDBeChem:GCH xref: PMID:22770225 "Europe PMC" xref: Reaxys:2955826 "Reaxys" xref: Wikipedia:Glycocholic_acid is_a: CHEBI:36255 ! bile acid glycine conjugate relationship: has_functional_parent CHEBI:16359 ! cholic acid relationship: has_functional_parent CHEBI:36274 ! glycochenodeoxycholic acid relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:29746 ! glycocholate [Term] id: CHEBI:17698 name: chloramphenicol namespace: chebi_ontology alt_id: CHEBI:13965 alt_id: CHEBI:23106 alt_id: CHEBI:23108 alt_id: CHEBI:3603 alt_id: CHEBI:47327 def: "An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "322.012" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "322.012" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "323.130" RELATED MASS [ChEBI] synonym: "C11H12Cl2N2O5" RELATED FORMULA [ChEBI] synonym: "C11H12Cl2N2O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)[N+]([O-])=O" RELATED SMILES [ChEBI] synonym: "Chloramex" RELATED BRAND_NAME [ChemIDplus] synonym: "CHLORAMPHENICOL" EXACT [PDBeChem] synonym: "Chloramphenicol" EXACT [KEGG_COMPOUND] synonym: "chloramphenicol" EXACT [UniProt] synonym: "chloramphenicol" RELATED INN [ChemIDplus] synonym: "chloramphenicol" RELATED INN [ChEBI] synonym: "chloramphenicolum" RELATED INN [ChemIDplus] synonym: "chlornitromycin" RELATED [ChEBI] synonym: "Chlorocid" RELATED BRAND_NAME [ChemIDplus] synonym: "Chlorocol" RELATED BRAND_NAME [ChemIDplus] synonym: "Chloromycetin" RELATED BRAND_NAME [ChemIDplus] synonym: "cloramfenicol" RELATED INN [ChemIDplus] synonym: "D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide" RELATED [ChemIDplus] synonym: "D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol" RELATED [ChemIDplus] synonym: "Fenicol" RELATED BRAND_NAME [ChemIDplus] synonym: "Globenicol" RELATED BRAND_NAME [ChemIDplus] synonym: "Halomycetin" RELATED BRAND_NAME [ChemIDplus] synonym: "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1" RELATED InChI [ChEBI] synonym: "laevomycetinum" RELATED [ChemIDplus] synonym: "levomicetina" RELATED [ChemIDplus] synonym: "levomycetin" RELATED [ChemIDplus] synonym: "Oleomycetin" RELATED BRAND_NAME [ChemIDplus] synonym: "Sificetina" RELATED BRAND_NAME [ChemIDplus] synonym: "WIIZWVCIJKGZOK-RKDXNWHRSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2225532 "Beilstein" xref: CAS:56-75-7 "KEGG COMPOUND" xref: colombos:CHLORAMFENICOL xref: colombos:CHLORAMFENICOL\:+UNKNOWN xref: Drug_Central:589 "DrugCentral" xref: DrugBank:DB00446 xref: KEGG:C00918 xref: KEGG:D00104 xref: LINCS:LSM-5256 xref: Patent:GB795131 xref: Patent:GB796901 xref: Patent:US2483871 xref: Patent:US2483884 xref: Patent:US2483892 xref: Patent:US2839577 xref: PDBeChem:CLM xref: PMID:11468347 "Europe PMC" xref: PMID:12217690 "Europe PMC" xref: PMID:16659995 "Europe PMC" xref: PMID:16897441 "Europe PMC" xref: PMID:17217404 "Europe PMC" xref: PMID:17692887 "Europe PMC" xref: PMID:18559535 "Europe PMC" xref: PMID:18657290 "Europe PMC" xref: PMID:18794387 "Europe PMC" xref: PMID:23142491 "Europe PMC" xref: PMID:23317719 "Europe PMC" xref: PMID:23395526 "Europe PMC" xref: PMID:23494278 "Europe PMC" xref: PMID:23512826 "Europe PMC" xref: PMID:657786 "Europe PMC" xref: PMID:6653106 "Europe PMC" xref: Wikipedia:Chloramphenicol is_a: CHEBI:23824 ! diol is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37622 ! carboxamide relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:17716 name: lactose namespace: chebi_ontology alt_id: CHEBI:10296 alt_id: CHEBI:10380 alt_id: CHEBI:14497 alt_id: CHEBI:22460 alt_id: CHEBI:22760 alt_id: CHEBI:25005 alt_id: CHEBI:27755 alt_id: CHEBI:613009 def: "A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form." [] subset: 3_STAR synonym: "(+)-lactose" RELATED [NIST_Chemistry_WebBook] synonym: "(Gal)1 (Glc)1" RELATED [KEGG_GLYCAN] synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-beta-D-Galactopyranosyl-4-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "342.116" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "342.29648" RELATED MASS [ChEBI] synonym: "4-(beta-D-galactosido)-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "4-O-beta-D-galactopyranosyl-D-glucose" RELATED [IUPAC] synonym: "beta-D-Gal-(1->4)-D-Glc" RELATED [KEGG_COMPOUND] synonym: "beta-D-galactopyranosyl-(1->4)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Galp-(1->4)-D-Glcp" RELATED [IUPAC] synonym: "beta-Gal1,4-Glc" RELATED [ChEBI] synonym: "C12H22O11" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-lactose" RELATED [ChemIDplus] synonym: "Galbeta1-4-Glc" RELATED [ChEBI] synonym: "GUBGYTABKSRVRQ-QKKXKWKRSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1" RELATED InChI [ChEBI] synonym: "Lac" RELATED [JCBN] synonym: "lactobiose" RELATED [NIST_Chemistry_WebBook] synonym: "lactose" EXACT [UniProt] synonym: "Laktobiose" RELATED [ChEBI] synonym: "Laktose" RELATED [ChEBI] synonym: "Milchzucker" RELATED [ChEBI] synonym: "Milk sugar" RELATED [KEGG_COMPOUND] synonym: "milk sugar" RELATED [NIST_Chemistry_WebBook] synonym: "OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] xref: Beilstein:1292745 "Beilstein" xref: CAS:63-42-3 "KEGG COMPOUND" xref: colombos:LACTOSE xref: Gmelin:882872 "Gmelin" xref: KEGG:C00243 xref: KEGG:D00046 xref: KEGG:G10504 xref: KNApSAcK:C00001136 xref: PMID:1292745 "Europe PMC" xref: PMID:17329833 "Europe PMC" xref: PMID:18300214 "Europe PMC" xref: PMID:19053747 "ChEMBL" xref: PMID:19846069 "Europe PMC" xref: PMID:19913595 "Europe PMC" xref: PMID:20094999 "Europe PMC" xref: PMID:20503067 "Europe PMC" xref: PMID:20699559 "Europe PMC" xref: PMID:20873837 "Europe PMC" xref: PMID:20961532 "Europe PMC" xref: PMID:21403918 "Europe PMC" xref: PMID:2432147 "Europe PMC" xref: PMID:2456994 "Europe PMC" xref: PMID:6194884 "Europe PMC" xref: PMID:7574700 "Europe PMC" xref: Reaxys:1292745 "Reaxys" is_a: CHEBI:24405 ! glycosylglucose relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17750 name: glycine betaine namespace: chebi_ontology alt_id: CHEBI:13895 alt_id: CHEBI:15264 alt_id: CHEBI:22858 alt_id: CHEBI:24370 alt_id: CHEBI:27128 alt_id: CHEBI:3073 def: "The amino acid betaine derived from glycine." [] subset: 3_STAR synonym: "(trimethylammonio)acetate" EXACT IUPAC_NAME [IUPAC] synonym: "(trimethylammoniumyl)acetate" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-carboxy-N,N,N-trimethylmethanaminium inner salt" RELATED [NIST_Chemistry_WebBook] synonym: "117.079" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "117.14638" RELATED MASS [ChEBI] synonym: "2-N,N,N-trimethylammonio acetate" RELATED [ChEBI] synonym: "abromine" RELATED [ChemIDplus] synonym: "acidol" RELATED [ChEBI] synonym: "Bet" RELATED [ChEBI] synonym: "Betaine" RELATED [KEGG_COMPOUND] synonym: "betaine" RELATED [UniProt] synonym: "C5H11NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[N+](C)(C)CC([O-])=O" RELATED SMILES [ChEBI] synonym: "Glycine betaine" EXACT [KEGG_COMPOUND] synonym: "InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" RELATED InChI [ChEBI] synonym: "KWIUHFFTVRNATP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "N,N,N-trimethylammonioacetate" RELATED [IUPAC] synonym: "N,N,N-Trimethylglycine" RELATED [KEGG_COMPOUND] synonym: "Trimethylaminoacetate" RELATED [KEGG_COMPOUND] synonym: "Trimethylammonioacetate" RELATED [KEGG_COMPOUND] synonym: "trimethylglycine" RELATED [ChEBI] synonym: "trimethylglycocoll" RELATED [ChemIDplus] xref: Beilstein:3537113 "Beilstein" xref: CAS:107-43-7 "ChemIDplus" xref: colombos:GLYCINEBETAINE xref: Drug_Central:347 "DrugCentral" xref: Gmelin:26434 "Gmelin" xref: HMDB:HMDB00043 xref: KEGG:C00719 xref: KEGG:D07523 xref: KNApSAcK:C00007291 xref: MetaCyc:BETAINE xref: PDBeChem:BET xref: PMID:16197300 "Europe PMC" xref: PMID:18326594 "Europe PMC" xref: PMID:20346934 "Europe PMC" xref: PMID:20446114 "Europe PMC" xref: PMID:20642826 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: Reaxys:3537113 "Reaxys" xref: Wikipedia:Trimethylglycine xref: YMDB:YMDB01516 is_a: CHEBI:22860 ! amino-acid betaine is_a: CHEBI:24373 ! glycine derivative relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:41139 ! N,N,N-trimethylglycinium [Term] id: CHEBI:17754 name: glycerol namespace: chebi_ontology alt_id: CHEBI:131422 alt_id: CHEBI:14334 alt_id: CHEBI:24351 alt_id: CHEBI:42998 alt_id: CHEBI:5448 def: "A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,2,3-Propanetriol" RELATED [KEGG_COMPOUND] synonym: "1,2,3-Trihydroxypropane" RELATED [KEGG_COMPOUND] synonym: "92.047" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "92.09382" RELATED MASS [ChEBI] synonym: "C3H8O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "Glycerin" RELATED [KEGG_COMPOUND] synonym: "glycerine" RELATED [ChEBI] synonym: "Glyceritol" RELATED [HMDB] synonym: "GLYCEROL" EXACT [PDBeChem] synonym: "Glycerol" EXACT [KEGG_COMPOUND] synonym: "glycerol" EXACT [UniProt] synonym: "glycerol" EXACT [ChEBI] synonym: "glycerol" RELATED INN [ChemIDplus] synonym: "glycerolum" RELATED INN [ChemIDplus] synonym: "glycyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "Glyzerin" RELATED [ChEBI] synonym: "Gro" RELATED [JCBN] synonym: "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" RELATED InChI [ChEBI] synonym: "OCC(O)CO" RELATED SMILES [ChEBI] synonym: "Oelsuess" RELATED [ChEBI] synonym: "PEDCQBHIVMGVHV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "propane-1,2,3-triol" EXACT IUPAC_NAME [IUPAC] synonym: "Propanetriol" RELATED [HMDB] synonym: "Trihydroxypropane" RELATED [HMDB] xref: Beilstein:635685 "Beilstein" xref: CAS:56-81-5 "ChemIDplus" xref: colombos:GLYCEROL xref: Drug_Central:1316 "DrugCentral" xref: DrugBank:DB04077 xref: ECMDB:ECMDB00131 xref: Gmelin:26279 "Gmelin" xref: HMDB:HMDB00131 xref: KEGG:C00116 xref: KEGG:D00028 xref: KNApSAcK:C00001163 xref: LINCS:LSM-37180 xref: MetaCyc:GLYCEROL xref: PDB:2AJS xref: PDB:2D03 xref: PDBeChem:GOL xref: PMID:11958517 "Europe PMC" xref: PMID:12672239 "ChEMBL" xref: PMID:12689633 "Europe PMC" xref: PMID:14559393 "Europe PMC" xref: PMID:14563847 "Europe PMC" xref: PMID:15342117 "Europe PMC" xref: PMID:15786693 "Europe PMC" xref: PMID:16244855 "Europe PMC" xref: PMID:16258193 "Europe PMC" xref: PMID:16319039 "Europe PMC" xref: PMID:16349488 "Europe PMC" xref: PMID:16651733 "Europe PMC" xref: PMID:16664750 "Europe PMC" xref: PMID:16901854 "Europe PMC" xref: PMID:17336832 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:17979222 "Europe PMC" xref: PMID:19184438 "Europe PMC" xref: PMID:19231894 "Europe PMC" xref: PMID:19460032 "Europe PMC" xref: PMID:19548674 "Europe PMC" xref: PMID:19795216 "Europe PMC" xref: PMID:19956799 "Europe PMC" xref: PMID:22705534 "Europe PMC" xref: PMID:23562176 "Europe PMC" xref: PMID:23747440 "Europe PMC" xref: PMID:24643482 "Europe PMC" xref: PMID:25108762 "Europe PMC" xref: PMID:7031247 "ChEMBL" xref: PMID:7392035 "ChEMBL" xref: Reaxys:635685 "Reaxys" xref: UM-BBD_compID:c0066 "UM-BBD" xref: Wikipedia:Glycerol xref: YMDB:YMDB00283 is_a: CHEBI:17522 ! alditol is_a: CHEBI:27136 ! triol relationship: has_role CHEBI:25728 ! osmolyte relationship: has_role CHEBI:27780 ! detergent relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:17774 name: pimelate(1-) namespace: chebi_ontology alt_id: CHEBI:12209 alt_id: CHEBI:20708 alt_id: CHEBI:2175 def: "A dicarboxylic acid monoanion that is the conjugate base of pimelic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "159.066" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "159.15984" RELATED MASS [ChEBI] synonym: "6-carboxyhexanoate" EXACT IUPAC_NAME [IUPAC] synonym: "C7H11O4" RELATED FORMULA [ChEBI] synonym: "heptanedioate" RELATED [ChEBI] synonym: "hydrogen pimelate" RELATED [ChEBI] synonym: "InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/p-1" RELATED InChI [ChEBI] synonym: "OC(=O)CCCCCC([O-])=O" RELATED SMILES [ChEBI] synonym: "Pimelate" RELATED [KEGG_COMPOUND] synonym: "WLJVNTCWHIRURA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Gmelin:1449709 "Gmelin" is_a: CHEBI:133773 ! pimelate is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:36165 ! pimelate(2-) [Term] id: CHEBI:17790 name: methanol namespace: chebi_ontology alt_id: CHEBI:14588 alt_id: CHEBI:25227 alt_id: CHEBI:44080 alt_id: CHEBI:44553 alt_id: CHEBI:6816 def: "The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "32.026" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "32.04186" RELATED MASS [ChEBI] synonym: "carbinol" RELATED [ChemIDplus] synonym: "CH3OH" RELATED [ChEBI] synonym: "CH4O" RELATED FORMULA [KEGG_COMPOUND] synonym: "CO" RELATED SMILES [ChEBI] synonym: "InChI=1S/CH4O/c1-2/h2H,1H3" RELATED InChI [ChEBI] synonym: "MeOH" RELATED [ChEBI] synonym: "METHANOL" EXACT [PDBeChem] synonym: "Methanol" EXACT [KEGG_COMPOUND] synonym: "methanol" EXACT [UniProt] synonym: "methanol" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl alcohol" RELATED [KEGG_COMPOUND] synonym: "Methylalkohol" RELATED [NIST_Chemistry_WebBook] synonym: "OKKJLVBELUTLKV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "spirit of wood" RELATED [HMDB] synonym: "wood alcohol" RELATED [ChemIDplus] synonym: "wood naphtha" RELATED [ChemIDplus] synonym: "wood spirit" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1098229 "Beilstein" xref: CAS:67-56-1 "NIST Chemistry WebBook" xref: Gmelin:449 "Gmelin" xref: HMDB:HMDB01875 xref: KEGG:C00132 xref: KEGG:D02309 xref: MetaCyc:METOH xref: PDBeChem:MOH xref: PMID:11141607 "Europe PMC" xref: PMID:11430978 "Europe PMC" xref: PMID:11489599 "Europe PMC" xref: PMID:11680737 "Europe PMC" xref: PMID:11684179 "Europe PMC" xref: PMID:14012711 "Europe PMC" xref: PMID:14678513 "Europe PMC" xref: PMID:14760634 "Europe PMC" xref: PMID:15172721 "Europe PMC" xref: PMID:15906011 "Europe PMC" xref: PMID:16705261 "Europe PMC" xref: PMID:17451998 "Europe PMC" xref: PMID:17733096 "Europe PMC" xref: PMID:19064074 "Europe PMC" xref: PMID:19850112 "Europe PMC" xref: PMID:20314698 "Europe PMC" xref: Reaxys:1098229 "Reaxys" xref: UM-BBD_compID:c0132 "ChEBI" xref: Wikipedia:Methanol is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:50584 ! alkyl alcohol is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite relationship: has_role CHEBI:33292 ! fuel relationship: has_role CHEBI:48360 ! amphiprotic solvent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:52090 ! methoxide [Term] id: CHEBI:17796 name: L-idonate namespace: chebi_ontology alt_id: CHEBI:13126 alt_id: CHEBI:21335 alt_id: CHEBI:57659 alt_id: CHEBI:58494 alt_id: CHEBI:6250 def: "An optically active form of idonate having L-configuration; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "195.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "195.14730" RELATED MASS [ChEBI] synonym: "C6H11O7" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3+,4-,5+/m0/s1" RELATED InChI [ChEBI] synonym: "L-Idonate" EXACT [KEGG_COMPOUND] synonym: "L-idonate" EXACT [UniProt] synonym: "L-idonate" EXACT IUPAC_NAME [IUPAC] synonym: "OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "RGHNJXZEOKUKBD-SKNVOMKLSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3906522 "Beilstein" xref: CAS:1114-17-6 "KEGG COMPOUND" xref: KEGG:C00770 xref: MetaCyc:L-IDONATE is_a: CHEBI:33529 ! idonate relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:21336 ! L-idonic acid [Term] id: CHEBI:17821 name: thymine namespace: chebi_ontology alt_id: CHEBI:15247 alt_id: CHEBI:27004 alt_id: CHEBI:46017 alt_id: CHEBI:9580 def: "A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "126.043" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "126.11342" RELATED MASS [ChEBI] synonym: "2,4-dihydroxy-5-methylpyrimidine" RELATED [NIST_Chemistry_WebBook] synonym: "5-methyl-2,4(1H,3H)-pyrimidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "5-methylpyrimidine-2,4(1H,3H)-dione" RELATED [IUPAC] synonym: "5-Methyluracil" RELATED [KEGG_COMPOUND] synonym: "5-methyluracil" RELATED [NIST_Chemistry_WebBook] synonym: "C5H6N2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cc1c[nH]c(=O)[nH]c1=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)" RELATED InChI [ChEBI] synonym: "RWQNBRDOKXIBIV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "T" RELATED [ChEBI] synonym: "Thy" RELATED [CBN] synonym: "Thymin" RELATED [ChemIDplus] synonym: "THYMINE" EXACT [PDBeChem] synonym: "Thymine" EXACT [KEGG_COMPOUND] synonym: "thymine" EXACT [UniProt] synonym: "thymine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:607626 "Beilstein" xref: CAS:65-71-4 "NIST Chemistry WebBook" xref: colombos:THYMINE xref: DrugBank:DB03462 xref: Gmelin:278790 "Gmelin" xref: KEGG:C00178 xref: KNApSAcK:C00001511 xref: PDBeChem:TDR xref: PMID:23237383 "Europe PMC" xref: Wikipedia:Thymine is_a: CHEBI:26432 ! pyrimidine nucleobase is_a: CHEBI:38337 ! pyrimidone relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:17822 name: serine namespace: chebi_ontology alt_id: CHEBI:15081 alt_id: CHEBI:26648 alt_id: CHEBI:9116 def: "An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "105.043" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "105.09262" RELATED MASS [ChEBI] synonym: "2-amino-3-hydroxypropanoic acid" RELATED [IUPAC] synonym: "2-Amino-3-hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "3-Hydroxyalanine" RELATED [KEGG_COMPOUND] synonym: "C3H7NO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)" RELATED InChI [ChEBI] synonym: "MTCFGRXMJLQNBG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "NC(CO)C(O)=O" RELATED SMILES [ChEBI] synonym: "Serin" RELATED [ChEBI] synonym: "Serine" EXACT [KEGG_COMPOUND] synonym: "serine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1721402 "Beilstein" xref: CAS:302-84-1 "KEGG COMPOUND" xref: Gmelin:26429 "Gmelin" xref: KEGG:C00716 xref: KNApSAcK:C00001393 xref: Reaxys:1721402 "Reaxys" xref: Wikipedia:Serine is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:24712 ! hydroxymethyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32845 ! serinate relationship: is_conjugate_base_of CHEBI:32846 ! serinium relationship: is_tautomer_of CHEBI:35243 ! serine zwitterion relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:17833 name: gentamycin namespace: chebi_ontology alt_id: CHEBI:14293 alt_id: CHEBI:24206 alt_id: CHEBI:24212 alt_id: CHEBI:5306 def: "Any of a group of aminoglycoside antibiotics produced by fermentation of some Micromonospora spp." [] subset: 3_STAR synonym: "4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Gentamicin" RELATED [KEGG_COMPOUND] synonym: "gentamicin" RELATED [UniProt] synonym: "gentamycins" RELATED [ChEBI] xref: CAS:1403-66-3 "KEGG COMPOUND" xref: colombos:GENTAMICIN xref: DrugBank:DB00798 xref: KEGG:C00505 is_a: CHEBI:22479 ! amino cyclitol glycoside is_a: CHEBI:22507 ! aminoglycoside antibiotic [Term] id: CHEBI:17836 name: 4-aminobenzoate namespace: chebi_ontology alt_id: CHEBI:11959 alt_id: CHEBI:20314 def: "An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "136.040" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "136.12860" RELATED MASS [ChEBI] synonym: "4-aminobenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "4-aminobenzoate" EXACT [UniProt] synonym: "4-aminobenzoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "ALYNCZNDIQEVRV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "C7H6NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "Nc1ccc(cc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "p-aminobenzoate" RELATED [ChemIDplus] xref: Beilstein:3904778 "Beilstein" xref: CAS:2906-28-7 "ChemIDplus" xref: Gmelin:82609 "Gmelin" xref: KEGG:C00568 "ChEBI" xref: Reaxys:3904778 "Reaxys" xref: UM-BBD_compID:c0550 "ChEBI" is_a: CHEBI:22494 ! aminobenzoate is_a: CHEBI:63473 ! aromatic amino-acid anion relationship: has_functional_parent CHEBI:16150 ! benzoate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:30753 ! 4-aminobenzoic acid [Term] id: CHEBI:17879 name: 4-hydroxybenzoate namespace: chebi_ontology alt_id: CHEBI:12003 alt_id: CHEBI:20397 def: "The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "137.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "137.11280" RELATED MASS [ChEBI] synonym: "4-hydroxybenzoate" EXACT [UniProt] synonym: "4-hydroxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "4-hydroxybenzoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "C7H5O3" RELATED FORMULA [ChEBI] synonym: "FJKROLUGYXJWQN-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "Oc1ccc(cc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "p-hydroxybenzoate" RELATED [ChemIDplus] xref: Beilstein:3589159 "Beilstein" xref: CAS:456-23-5 "ChemIDplus" xref: Gmelin:326508 "Gmelin" xref: KEGG:C00156 "ChEBI" xref: Reaxys:3589159 "Reaxys" xref: UM-BBD_compID:c0104 "ChEBI" is_a: CHEBI:25388 ! monohydroxybenzoate relationship: has_functional_parent CHEBI:16150 ! benzoate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:30763 ! 4-hydroxybenzoic acid [Term] id: CHEBI:17883 name: hydrogen chloride namespace: chebi_ontology alt_id: CHEBI:13364 alt_id: CHEBI:24635 alt_id: CHEBI:5590 def: "A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "35.977" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "35.977" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "36.46064" RELATED MASS [ChEBI] synonym: "[HCl]" RELATED [IUPAC] synonym: "chlorane" EXACT IUPAC_NAME [IUPAC] synonym: "chloridohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "chlorure d'hydrogene" RELATED [ChEBI] synonym: "Chlorwasserstoff" RELATED [ChEBI] synonym: "Cl[H]" RELATED SMILES [ChEBI] synonym: "ClH" RELATED FORMULA [ChEBI] synonym: "cloruro de hidrogeno" RELATED [ChEBI] synonym: "HCl" RELATED FORMULA [KEGG_COMPOUND] synonym: "HCl" RELATED [KEGG_COMPOUND] synonym: "HCl" RELATED [UniProt] synonym: "hydrochloric acid" RELATED [ChemIDplus] synonym: "Hydrochloride" RELATED [KEGG_COMPOUND] synonym: "Hydrogen chloride" EXACT [KEGG_COMPOUND] synonym: "hydrogen chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenchlorid" RELATED [ChEBI] synonym: "InChI=1S/ClH/h1H" RELATED InChI [ChEBI] synonym: "VEXZGXHMUGYJMC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Wasserstoffchlorid" RELATED [ChEBI] xref: CAS:7647-01-0 "KEGG COMPOUND" xref: Drug_Central:4568 "DrugCentral" xref: Gmelin:322 "Gmelin" xref: HMDB:HMDB02306 xref: KEGG:C01327 xref: KEGG:D02057 xref: MetaCyc:HCL xref: PMID:15823700 "Europe PMC" xref: PMID:17492841 "Europe PMC" xref: PMID:22804993 "Europe PMC" xref: Reaxys:1098214 "Reaxys" xref: Wikipedia:HCl xref: Wikipedia:Hydrochloric_acid is_a: CHEBI:18140 ! hydrogen halide is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_acid_of CHEBI:17996 ! chloride relationship: is_conjugate_base_of CHEBI:50315 ! chloronium [Term] id: CHEBI:17891 name: donor namespace: chebi_ontology alt_id: CHEBI:14202 alt_id: CHEBI:4697 def: "A molecular entity that can transfer (\"donate\") an electron, a pair of electrons, an atom or a group to another molecular entity." [] subset: 3_STAR synonym: "Donator" RELATED [ChEBI] synonym: "donneur" RELATED [ChEBI] synonym: "Donor" EXACT [KEGG_COMPOUND] synonym: "donor" EXACT [UniProt] xref: KEGG:C01351 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:17939 name: puromycin namespace: chebi_ontology alt_id: CHEBI:14970 alt_id: CHEBI:26402 alt_id: CHEBI:45182 alt_id: CHEBI:8641 def: "An aminonucleoside antibiotic, derived from the Streptomyces alboniger bacterium, that causes premature chain termination during translation taking place in the ribosome." [] subset: 3_STAR synonym: "(S)-3'-((2-Amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyladenosine" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "3'-(L-alpha-Amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyladenosine" RELATED [ChemIDplus] synonym: "3'-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-diemthyladenosine" RELATED [ChEBI] synonym: "3'-deoxy-N,N-dimethyl-3'-(O-methyl-L-tyrosinamido)adenosine" EXACT IUPAC_NAME [IUPAC] synonym: "471.223" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "471.50984" RELATED MASS [ChEBI] synonym: "9-{3-deoxy-3-[(O-methyl-L-tyrosyl)amino]-beta-D-xylofuranosyl}-N,N-dimethyl-9H-purin-6-amine" RELATED [ChEBI] synonym: "Achromycin" RELATED [ChemIDplus] synonym: "C22H29N7O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1" RELATED InChI [ChEBI] synonym: "puromicina" RELATED INN [ChemIDplus] synonym: "Puromycin" EXACT [KEGG_COMPOUND] synonym: "puromycin" RELATED INN [ChemIDplus] synonym: "puromycine" RELATED INN [ChemIDplus] synonym: "puromycinum" RELATED INN [ChemIDplus] synonym: "RXWNCPJZOCPEPQ-NVWDDTSBSA-N" RELATED InChIKey [ChEBI] xref: CAS:53-79-2 "KEGG COMPOUND" xref: colombos:PUROMYCIN xref: colombos:PUROMYCIN\:+UNKNOWN xref: DrugBank:DB08437 xref: KEGG:C01610 xref: KEGG:D05653 xref: KNApSAcK:C00001507 xref: LINCS:LSM-2788 xref: PMID:13945541 "Europe PMC" xref: PMID:15843471 "Europe PMC" xref: PMID:18322149 "Europe PMC" xref: PMID:323854 "Europe PMC" xref: Reaxys:70234 "Reaxys" xref: Wikipedia:Puromycin is_a: CHEBI:26404 ! puromycins relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:76891 ! EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor relationship: has_role CHEBI:76893 ! EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor relationship: is_conjugate_base_of CHEBI:60255 ! puromycin(1+) [Term] id: CHEBI:17968 name: butyrate namespace: chebi_ontology alt_id: CHEBI:13924 alt_id: CHEBI:22946 def: "A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "1-butanoate" RELATED [ChEBI] synonym: "1-butyrate" RELATED [ChEBI] synonym: "1-propanecarboxylate" RELATED [ChEBI] synonym: "87.045" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "87.09718" RELATED MASS [ChEBI] synonym: "butanate" RELATED [ChEBI] synonym: "butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "butanoate" RELATED [ChEBI] synonym: "butanoate" RELATED [UniProt] synonym: "butanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "butyrate" EXACT [IUPAC] synonym: "C4H7O2" RELATED FORMULA [ChEBI] synonym: "CCCC([O-])=O" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]2-COO(-)" RELATED [IUPAC] synonym: "FERIUCNNQQJTOY-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1" RELATED InChI [ChEBI] synonym: "n-butanoate" RELATED [ChEBI] synonym: "n-butyrate" RELATED [ChemIDplus] synonym: "propanecarboxylate" RELATED [ChEBI] synonym: "propylformate" RELATED [ChEBI] xref: Beilstein:3601060 "Beilstein" xref: CAS:461-55-2 "ChemIDplus" xref: Gmelin:324289 "Gmelin" xref: KEGG:C00246 "ChEBI" xref: MetaCyc:BUTYRIC_ACID xref: PMID:17190852 "Europe PMC" xref: PMID:7496326 "Europe PMC" xref: Reaxys:3601060 "Reaxys" xref: UM-BBD_compID:c0035 "ChEBI" is_a: CHEBI:78115 ! fatty acid anion 4:0 relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30772 ! butyric acid [Term] id: CHEBI:17972 name: ribonucleoside triphosphate namespace: chebi_ontology alt_id: CHEBI:15047 alt_id: CHEBI:26559 alt_id: CHEBI:8846 subset: 3_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "372.949" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "373.063" RELATED MASS [KEGG_COMPOUND] synonym: "C5H12O13P3R" RELATED FORMULA [KEGG_COMPOUND] synonym: "Ribonucleoside triphosphate" EXACT [KEGG_COMPOUND] synonym: "ribonucleoside triphosphates" RELATED [ChEBI] xref: KEGG:C03802 is_a: CHEBI:17326 ! nucleoside triphosphate [Term] id: CHEBI:17981 name: O-acetyl-L-serine namespace: chebi_ontology alt_id: CHEBI:12685 alt_id: CHEBI:12710 alt_id: CHEBI:12724 alt_id: CHEBI:21938 alt_id: CHEBI:44568 alt_id: CHEBI:7668 def: "An acetyl-L-serine where the acetyl group is attached to the side-chain oxygen. It is an intermediate in the biosynthesis of the amino acid cysteine in bacteria." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "147.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.12930" RELATED MASS [ChEBI] synonym: "C5H9NO4" RELATED FORMULA [ChEBI] synonym: "CC(=O)OC[C@H](N)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-Serine, acetate (ester)" RELATED [ChemIDplus] synonym: "O-Acetyl-L-serine" EXACT [KEGG_COMPOUND] synonym: "O-acetyl-L-serine" EXACT [ChEBI] synonym: "O-acetyl-L-serine" EXACT IUPAC_NAME [IUPAC] synonym: "O3-Acetyl-L-serine" RELATED [KEGG_COMPOUND] synonym: "O3-acetyl-L-serine" RELATED [ChEBI] synonym: "VZXPDPZARILFQX-BYPYZUCNSA-N" RELATED InChIKey [ChEBI] xref: CAS:5147-00-2 "KEGG COMPOUND" xref: DrugBank:DB01837 xref: HMDB:HMDB03011 xref: KEGG:C00979 xref: KNApSAcK:C00007459 xref: MetaCyc:ACETYLSERINE xref: PDBeChem:OAS xref: PMID:23483228 "Europe PMC" xref: Reaxys:1723791 "Reaxys" xref: Wikipedia:O-Acetylserine is_a: CHEBI:22194 ! acetyl-L-serine is_a: CHEBI:47622 ! acetate ester relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_tautomer_of CHEBI:58340 ! O-acetyl-L-serine zwitterion [Term] id: CHEBI:17984 name: acyl-CoA namespace: chebi_ontology alt_id: CHEBI:13727 alt_id: CHEBI:13802 alt_id: CHEBI:22223 alt_id: CHEBI:2455 def: "A thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any carboxylic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "794.102" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "794.53600" RELATED MASS [ChEBI] synonym: "Acyl coenzyme A" RELATED [KEGG_COMPOUND] synonym: "Acyl-CoA" EXACT [KEGG_COMPOUND] synonym: "C22H35N7O17P3SR" RELATED FORMULA [ChEBI] synonym: "CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O" RELATED SMILES [ChEBI] xref: CAS:9029-97-4 "KEGG COMPOUND" xref: KEGG:C00040 xref: PMID:11264983 "Europe PMC" xref: PMID:11524729 "Europe PMC" xref: PMID:16495773 "Europe PMC" xref: PMID:21514367 "Europe PMC" xref: PMID:21541677 "Europe PMC" is_a: CHEBI:51277 ! thioester relationship: has_functional_parent CHEBI:15346 ! coenzyme A relationship: has_role CHEBI:62049 ! acyl donor relationship: is_conjugate_acid_of CHEBI:58342 ! acyl-CoA(4-) [Term] id: CHEBI:17992 name: sucrose namespace: chebi_ontology alt_id: CHEBI:15128 alt_id: CHEBI:26812 alt_id: CHEBI:45795 alt_id: CHEBI:9314 def: "Sucrose is a disaccharide formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside" RELATED [KEGG_COMPOUND] synonym: "342.116" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "342.29650" RELATED MASS [ChEBI] synonym: "beta-D-fructofuranosyl alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Fruf-(2<->1)-alpha-D-Glcp" RELATED [JCBN] synonym: "C12H22O11" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cane sugar" RELATED [KEGG_COMPOUND] synonym: "CZMRCDWAGMRECN-UGDNZRGBSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "sacarosa" RELATED [ChEBI] synonym: "Saccharose" RELATED [KEGG_COMPOUND] synonym: "Sacharose" RELATED [ChEBI] synonym: "SUCROSE" EXACT [PDBeChem] synonym: "Sucrose" EXACT [KEGG_COMPOUND] synonym: "sucrose" EXACT [UniProt] synonym: "table sugar" RELATED [ChemIDplus] synonym: "White sugar" RELATED [HMDB] xref: Beilstein:90825 "Beilstein" xref: CAS:57-50-1 "ChemIDplus" xref: colombos:SUCROSE xref: Drug_Central:4610 "DrugCentral" xref: DrugBank:DB02772 xref: Gmelin:97695 "Gmelin" xref: HMDB:HMDB00258 xref: KEGG:C00089 xref: KEGG:D00025 xref: KEGG:D06533 xref: KEGG:G00370 xref: KNApSAcK:C00001151 xref: MetaCyc:SUCROSE xref: PDBeChem:SUC xref: PMID:11021636 "Europe PMC" xref: PMID:11093712 "Europe PMC" xref: PMID:11111003 "Europe PMC" xref: PMID:12065720 "Europe PMC" xref: PMID:12706980 "Europe PMC" xref: PMID:13508893 "Europe PMC" xref: PMID:15291457 "Europe PMC" xref: PMID:15660210 "Europe PMC" xref: PMID:15792978 "Europe PMC" xref: PMID:15845855 "Europe PMC" xref: PMID:16228482 "Europe PMC" xref: PMID:16304615 "Europe PMC" xref: PMID:16313996 "Europe PMC" xref: PMID:16525719 "Europe PMC" xref: PMID:16660545 "Europe PMC" xref: PMID:16663947 "Europe PMC" xref: PMID:16665852 "Europe PMC" xref: PMID:17233733 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:17597061 "Europe PMC" xref: PMID:18625236 "Europe PMC" xref: PMID:19199566 "Europe PMC" xref: PMID:19726178 "Europe PMC" xref: PMID:21703290 "Europe PMC" xref: PMID:21972845 "Europe PMC" xref: PMID:22085755 "Europe PMC" xref: PMID:22311778 "Europe PMC" xref: PMID:22404833 "Europe PMC" xref: PMID:22751876 "Europe PMC" xref: Reaxys:1435311 "Reaxys" xref: Reaxys:90825 "Reaxys" xref: Wikipedia:Sucrose is_a: CHEBI:24407 ! glycosyl glycoside relationship: has_role CHEBI:25728 ! osmolyte relationship: has_role CHEBI:50505 ! sweetening agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite [Term] id: CHEBI:17996 name: chloride namespace: chebi_ontology alt_id: CHEBI:13291 alt_id: CHEBI:13970 alt_id: CHEBI:3616 alt_id: CHEBI:3731 alt_id: CHEBI:48804 def: "A halide anion formed when chlorine picks up an electron to form an an anion." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "34.969" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "35.45270" RELATED MASS [ChEBI] synonym: "[Cl-]" RELATED SMILES [ChEBI] synonym: "Chloride" EXACT [KEGG_COMPOUND] synonym: "chloride" EXACT [UniProt] synonym: "chloride" EXACT IUPAC_NAME [IUPAC] synonym: "CHLORIDE ION" RELATED [PDBeChem] synonym: "Chloride ion" RELATED [KEGG_COMPOUND] synonym: "Chloride(1-)" RELATED [ChemIDplus] synonym: "chloride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Chlorine anion" RELATED [NIST_Chemistry_WebBook] synonym: "Cl" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cl(-)" RELATED [IUPAC] synonym: "Cl-" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/ClH/h1H/p-1" RELATED InChI [ChEBI] synonym: "VEXZGXHMUGYJMC-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3587171 "Beilstein" xref: CAS:16887-00-6 "KEGG COMPOUND" xref: Gmelin:14910 "Gmelin" xref: KEGG:C00115 xref: KEGG:C00698 xref: PDBeChem:CL xref: UM-BBD_compID:c0884 "UM-BBD" is_a: CHEBI:16042 ! halide anion is_a: CHEBI:33432 ! monoatomic chlorine relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17883 ! hydrogen chloride [Term] id: CHEBI:18012 name: fumaric acid namespace: chebi_ontology alt_id: CHEBI:24124 alt_id: CHEBI:42743 alt_id: CHEBI:5190 def: "A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle." [] subset: 3_STAR synonym: "(2E)-2-butenedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(2E)-but-2-enedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-2-butenedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "116.011" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "116.07220" RELATED MASS [ChEBI] synonym: "C4H4O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "E297" RELATED [ChEBI] synonym: "FUMARIC ACID" EXACT [PDBeChem] synonym: "Fumaric acid" EXACT [KEGG_COMPOUND] synonym: "Fumarsaeure" RELATED [ChEBI] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+" RELATED InChI [ChEBI] synonym: "OC(=O)\\C=C\\C(O)=O" RELATED SMILES [ChEBI] synonym: "trans-1,2-ethylenedicarboxylic acid" RELATED [ChemIDplus] synonym: "trans-but-2-enedioic acid" RELATED [IUPAC] synonym: "trans-Butenedioic acid" RELATED [KEGG_COMPOUND] synonym: "VZCYOOQTPOCHFL-OWOJBTEDSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:605763 "Beilstein" xref: CAS:110-17-8 "KEGG COMPOUND" xref: Drug_Central:3229 "DrugCentral" xref: Gmelin:49855 "Gmelin" xref: HMDB:HMDB00134 xref: KEGG:C00122 xref: KEGG:D02308 xref: KNApSAcK:C00001183 xref: MetaCyc:FUM xref: PDBeChem:FUM xref: PMID:17439666 "Europe PMC" xref: PMID:21414846 "Europe PMC" xref: PMID:22113915 "Europe PMC" xref: PMID:22217732 "Europe PMC" xref: PMID:22516248 "Europe PMC" xref: Reaxys:605763 "Reaxys" xref: Wikipedia:Fumaric_Acid is_a: CHEBI:22958 ! butenedioic acid relationship: has_role CHEBI:64049 ! food acidity regulator relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:37154 ! fumarate(1-) [Term] id: CHEBI:18026 name: 2,3-dihydroxybenzoic acid namespace: chebi_ontology alt_id: CHEBI:19320 alt_id: CHEBI:41901 alt_id: CHEBI:885 def: "A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "154.027" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "154.12010" RELATED MASS [ChEBI] synonym: "2,3 DHB" RELATED [NIST_Chemistry_WebBook] synonym: "2,3-DIHYDROXY-BENZOIC ACID" RELATED [PDBeChem] synonym: "2,3-Dihydroxybenzoic acid" EXACT [KEGG_COMPOUND] synonym: "2,3-dihydroxybenzoic acid" EXACT [ChEBI] synonym: "2,3-dihydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-pyrocatechuic acid" RELATED [ChemIDplus] synonym: "3-hydroxysalicylic acid" RELATED [ChemIDplus] synonym: "C7H6O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "catechol-3-carboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "DOBK" RELATED [NIST_Chemistry_WebBook] synonym: "GLDQAMYCGOIJDV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)" RELATED InChI [ChEBI] synonym: "o-pyrocatechuic acid" RELATED [ChemIDplus] synonym: "OC(=O)c1cccc(O)c1O" RELATED SMILES [ChEBI] synonym: "pyrocatechuic acid" RELATED [ChemIDplus] xref: Beilstein:2209117 "Beilstein" xref: CAS:303-38-8 "NIST Chemistry WebBook" xref: DrugBank:DB01672 xref: HMDB:HMDB00397 xref: KEGG:C00196 xref: KNApSAcK:C00002669 xref: PDBeChem:DBH xref: PMID:17065237 "Europe PMC" xref: PMID:24171385 "Europe PMC" xref: PMID:3575393 "Europe PMC" xref: Reaxys:2209117 "Reaxys" xref: Wikipedia:2\,3-Dihydroxybenzoic_acid is_a: CHEBI:23778 ! dihydroxybenzoic acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:36654 ! 2,3-dihydroxybenzoate [Term] id: CHEBI:18050 name: L-glutamine namespace: chebi_ontology alt_id: CHEBI:13110 alt_id: CHEBI:21308 alt_id: CHEBI:42812 alt_id: CHEBI:42814 alt_id: CHEBI:42899 alt_id: CHEBI:42943 alt_id: CHEBI:6227 def: "An optically active form of glutamine having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,5-diamino-5-oxopentanoic acid" RELATED [IUPAC] synonym: "(2S)-2-amino-4-carbamoylbutanoic acid" RELATED [JCBN] synonym: "(S)-2,5-diamino-5-oxopentanoic acid" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "146.069" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "146.14458" RELATED MASS [ChEBI] synonym: "C5H10N2O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "Glutamic acid 5-amide" RELATED [HMDB] synonym: "Glutamic acid amide" RELATED [HMDB] synonym: "GLUTAMINE" RELATED [PDBeChem] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-(+)-glutamine" RELATED [ChemIDplus] synonym: "L-2-Aminoglutaramic acid" RELATED [KEGG_COMPOUND] synonym: "L-2-aminoglutaramic acid" RELATED [DrugBank] synonym: "L-2-aminoglutaramic acid" RELATED [ChEBI] synonym: "L-glutamic acid gamma-amide" RELATED [NIST_Chemistry_WebBook] synonym: "L-Glutamin" RELATED [ChEBI] synonym: "L-Glutamine" EXACT [KEGG_COMPOUND] synonym: "L-glutamine" EXACT IUPAC_NAME [IUPAC] synonym: "L-Glutaminsaeure-5-amid" RELATED [ChEBI] synonym: "Levoglutamide" RELATED [KEGG_DRUG] synonym: "N[C@@H](CCC(N)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "Q" RELATED [ChEBI] synonym: "ZDXPYRJPNDTMRX-VKHMYHEASA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1723797 "ChemIDplus" xref: CAS:56-85-9 "ChemIDplus" xref: Drug_Central:1311 "DrugCentral" xref: DrugBank:DB00130 xref: ECMDB:ECMDB00641 xref: Gmelin:3509 "Gmelin" xref: HMDB:HMDB00641 xref: KEGG:C00064 xref: KEGG:D00015 xref: KNApSAcK:C00001359 xref: LINCS:LSM-4741 xref: MetaCyc:GLN xref: PDBeChem:GLN xref: PMID:11139387 "Europe PMC" xref: PMID:15204730 "Europe PMC" xref: PMID:22055478 "Europe PMC" xref: PMID:22206385 "Europe PMC" xref: PMID:22451274 "Europe PMC" xref: PMID:22453904 "Europe PMC" xref: PMID:22575040 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: Reaxys:1723797 "Reaxys" xref: Wikipedia:Glutamine xref: YMDB:YMDB00002 is_a: CHEBI:24318 ! glutamine family amino acid is_a: CHEBI:28300 ! glutamine relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32665 ! L-glutaminate relationship: is_conjugate_base_of CHEBI:32666 ! L-glutaminium relationship: is_enantiomer_of CHEBI:17061 ! D-glutamine relationship: is_tautomer_of CHEBI:58359 ! L-glutamine zwitterion [Term] id: CHEBI:18059 name: lipid namespace: chebi_ontology alt_id: CHEBI:14517 alt_id: CHEBI:25054 alt_id: CHEBI:6486 def: "'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids." [] subset: 3_STAR synonym: "Lipid" EXACT [KEGG_COMPOUND] synonym: "lipids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C01356 is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:18107 name: xanthosine namespace: chebi_ontology alt_id: CHEBI:10066 alt_id: CHEBI:15323 alt_id: CHEBI:27327 def: "A purine nucleoside in which xanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "284.076" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "284.22564" RELATED MASS [ChEBI] synonym: "9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dione" RELATED [ChEBI] synonym: "9-beta-D-Ribofuranosylxanthine" RELATED [ChemIDplus] synonym: "9-beta-D-ribofuranosylxanthine" RELATED [ChEBI] synonym: "C10H12N4O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O" RELATED SMILES [ChEBI] synonym: "UBORTCNDUKBEOP-UUOKFMHZSA-N" RELATED InChIKey [ChEBI] synonym: "xanthine 9-beta-D-ribofuranoside" RELATED [ChEBI] synonym: "Xanthine riboside" RELATED [ChemIDplus] synonym: "Xanthosine" EXACT [KEGG_COMPOUND] synonym: "xanthosine" EXACT [UniProt] synonym: "xanthosine" EXACT IUPAC_NAME [IUPAC] xref: CAS:146-80-5 "KEGG COMPOUND" xref: HMDB:HMDB00299 xref: KEGG:C01762 xref: KNApSAcK:C00007222 xref: MetaCyc:XANTHOSINE xref: PMID:10879466 "Europe PMC" xref: PMID:19176874 "Europe PMC" xref: PMID:21071429 "Europe PMC" xref: PMID:22698263 "Europe PMC" xref: PMID:22731949 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:22932763 "Europe PMC" xref: Reaxys:625906 "Reaxys" xref: Wikipedia:Xanthosine is_a: CHEBI:48136 ! xanthosines relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:18133 name: hexose namespace: chebi_ontology alt_id: CHEBI:14399 alt_id: CHEBI:24590 alt_id: CHEBI:5709 def: "Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose)." [] subset: 3_STAR synonym: "Hexose" EXACT [KEGG_COMPOUND] synonym: "hexose" EXACT [UniProt] synonym: "hexoses" RELATED [ChEBI] xref: KEGG:C00738 is_a: CHEBI:35381 ! monosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18139 name: trimethylamine namespace: chebi_ontology alt_id: CHEBI:15261 alt_id: CHEBI:27125 alt_id: CHEBI:27127 alt_id: CHEBI:9732 def: "A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group." [] subset: 3_STAR synonym: "(CH3)3N" RELATED [KEGG_COMPOUND] synonym: "0" RELATED CHARGE [ChEBI] synonym: "59.073" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "59.11030" RELATED MASS [ChEBI] synonym: "C3H9N" RELATED FORMULA [KEGG_COMPOUND] synonym: "CN(C)C" RELATED SMILES [ChEBI] synonym: "GETQZCLCWQTVFV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" RELATED InChI [ChEBI] synonym: "N(CH3)3" RELATED [ChEBI] synonym: "N,N,N-trimethylamine" RELATED [ChEBI] synonym: "N,N-Dimethylmethanamine" RELATED [KEGG_COMPOUND] synonym: "N,N-dimethylmethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "NMe3" RELATED [ChEBI] synonym: "TMA" RELATED [NIST_Chemistry_WebBook] synonym: "tridimethylaminomethane" RELATED [ChEBI] synonym: "Trimethylamin" RELATED [ChEBI] synonym: "Trimethylamine" EXACT [KEGG_COMPOUND] xref: Beilstein:956566 "Beilstein" xref: CAS:75-50-3 "KEGG COMPOUND" xref: Gmelin:1309 "Gmelin" xref: HMDB:HMDB00906 xref: KEGG:C00565 xref: KNApSAcK:C00001433 xref: MetaCyc:TRIMETHYLAMINE xref: PDBeChem:KEN xref: PMID:14047118 "Europe PMC" xref: PMID:15304308 "Europe PMC" xref: PMID:15752091 "Europe PMC" xref: PMID:17190852 "Europe PMC" xref: PMID:1801314 "Europe PMC" xref: PMID:24591617 "Europe PMC" xref: PMID:2501587 "Europe PMC" xref: PMID:5161463 "Europe PMC" xref: Reaxys:956566 "Reaxys" xref: Wikipedia:Trimethylamine is_a: CHEBI:25274 ! methylamines is_a: CHEBI:32876 ! tertiary amine relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:58389 ! trimethylammonium [Term] id: CHEBI:18140 name: hydrogen halide namespace: chebi_ontology alt_id: CHEBI:13368 alt_id: CHEBI:37140 alt_id: CHEBI:5599 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "[F,Cl,Br,I]" RELATED SMILES [ChEBI] synonym: "HX" RELATED [UniProt] synonym: "HX" RELATED FORMULA [ChEBI] synonym: "hydrogen halide" EXACT [IUPAC] synonym: "hydrogen halides" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen halides" RELATED [ChEBI] is_a: CHEBI:33405 ! hydracid relationship: has_role CHEBI:75771 ! mouse metabolite [Term] id: CHEBI:18152 name: myricetin namespace: chebi_ontology alt_id: CHEBI:14636 alt_id: CHEBI:44341 alt_id: CHEBI:7053 def: "A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3,3',4',5,5',7-Hexahydroxyflavone" RELATED [ChemIDplus] synonym: "3,5,7,3',4',5'-Hexahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "318.038" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "318.23510" RELATED MASS [ChEBI] synonym: "C15H10O8" RELATED FORMULA [ChEBI] synonym: "Cannabiscetin" RELATED [ChemIDplus] synonym: "IKMDFBPHZNJCSN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H" RELATED InChI [ChEBI] synonym: "Myricetin" EXACT [KEGG_COMPOUND] synonym: "Myricetol" RELATED [ChemIDplus] synonym: "Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O" RELATED SMILES [ChEBI] xref: Beilstein:332331 "Beilstein" xref: CAS:529-44-2 "ChemIDplus" xref: DrugBank:DB02375 xref: HMDB:HMDB02755 xref: KEGG:C10107 xref: KNApSAcK:C00001071 xref: LINCS:LSM-2957 xref: LIPID_MAPS_instance:LMPK12110001 "LIPID MAPS" xref: MetaCyc:MYRICETIN xref: PDBeChem:MYC xref: PMID:19407970 "Europe PMC" xref: PMID:19778600 "Europe PMC" xref: PMID:22482362 "Europe PMC" xref: PMID:23099505 "Europe PMC" xref: PMID:23232835 "Europe PMC" xref: PMID:23265454 "Europe PMC" xref: Reaxys:332331 "Reaxys" xref: Wikipedia:Myricetin is_a: CHEBI:24561 ! hexahydroxyflavone is_a: CHEBI:52267 ! 7-hydroxyflavonol relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:35526 ! hypoglycemic agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78295 ! food component relationship: is_conjugate_acid_of CHEBI:58395 ! myricetin(1-) [Term] id: CHEBI:18154 name: polysaccharide namespace: chebi_ontology alt_id: CHEBI:14864 alt_id: CHEBI:26205 alt_id: CHEBI:8322 def: "A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues." [] subset: 3_STAR synonym: "Glycan" RELATED [KEGG_COMPOUND] synonym: "Glycane" RELATED [ChEBI] synonym: "glycans" RELATED [IUPAC] synonym: "Glykan" RELATED [ChEBI] synonym: "Glykane" RELATED [ChEBI] synonym: "polisacarido" RELATED [ChEBI] synonym: "polisacaridos" RELATED [IUPAC] synonym: "Polysaccharide" EXACT [KEGG_COMPOUND] synonym: "polysaccharide" EXACT [UniProt] synonym: "polysaccharides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00420 is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:33694 ! biomacromolecule [Term] id: CHEBI:18186 name: tyrosine namespace: chebi_ontology alt_id: CHEBI:15277 alt_id: CHEBI:27176 alt_id: CHEBI:9800 def: "An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "181.074" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "181.18858" RELATED MASS [ChEBI] synonym: "2-amino-3-(4-hydroxyphenyl)propanoic acid" RELATED [IUPAC] synonym: "2-Amino-3-(p-hydroxyphenyl)propionic acid" RELATED [KEGG_COMPOUND] synonym: "3-(p-Hydroxyphenyl)alanine" RELATED [KEGG_COMPOUND] synonym: "C9H11NO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)" RELATED InChI [ChEBI] synonym: "NC(Cc1ccc(O)cc1)C(O)=O" RELATED SMILES [ChEBI] synonym: "OUYCCCASQSFEME-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "tirosina" RELATED [ChEBI] synonym: "Tyr" RELATED [ChEBI] synonym: "Tyrosin" RELATED [ChEBI] synonym: "Tyrosine" EXACT [KEGG_COMPOUND] synonym: "tyrosine" EXACT [UniProt] synonym: "tyrosine" EXACT IUPAC_NAME [IUPAC] synonym: "Y" RELATED [ChEBI] xref: Beilstein:515881 "Beilstein" xref: CAS:55520-40-6 "ChemIDplus" xref: CAS:556-03-6 "KEGG COMPOUND" xref: Gmelin:27744 "Gmelin" xref: KEGG:C01536 xref: KNApSAcK:C00001397 xref: PMID:17190852 "Europe PMC" xref: Reaxys:515881 "Reaxys" is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_part CHEBI:50336 ! 4-hydroxybenzyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32784 ! tyrosinate(1-) relationship: is_conjugate_base_of CHEBI:32786 ! tyrosinium [Term] id: CHEBI:18208 name: benzylpenicillin namespace: chebi_ontology alt_id: CHEBI:14743 alt_id: CHEBI:25866 alt_id: CHEBI:45073 alt_id: CHEBI:7962 def: "A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group." [] subset: 3_STAR synonym: "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "334.099" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "334.392" RELATED MASS [ChEBI] synonym: "6-(2-phenylacetamido)penicillanic acid" RELATED [ChemIDplus] synonym: "bencilpenicilina" RELATED INN [ChemIDplus] synonym: "bensylpenicillin" RELATED [ChEBI] synonym: "benzyl benicillin" RELATED [ChEBI] synonym: "Benzylpenicillin" EXACT [KEGG_COMPOUND] synonym: "benzylpenicillin" RELATED INN [KEGG_DRUG] synonym: "benzylpenicilline" RELATED INN [ChemIDplus] synonym: "benzylpenicillinic acid" RELATED [ChemIDplus] synonym: "benzylpenicillinum" RELATED INN [ChemIDplus] synonym: "C16H18N2O4S" RELATED FORMULA [ChEBI] synonym: "free penicillin II" RELATED [ChemIDplus] synonym: "InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1" RELATED InChI [ChEBI] synonym: "JGSARLDLIJGVTE-MBNYWOFBSA-N" RELATED InChIKey [ChEBI] synonym: "N12C([C@H]([C@]1(SC([C@@H]2C(O)=O)(C)C)[H])NC(CC3=CC=CC=C3)=O)=O" RELATED SMILES [ChEBI] synonym: "PCG" RELATED [ChEBI] synonym: "PENICILLIN G" RELATED [PDBeChem] synonym: "Penicillin G" RELATED [KEGG_COMPOUND] synonym: "PG" RELATED [ChEBI] xref: Beilstein:44740 "Beilstein" xref: CAS:61-33-6 "KEGG COMPOUND" xref: Drug_Central:2082 "DrugCentral" xref: DrugBank:DB01053 xref: Gmelin:781913 "Gmelin" xref: HMDB:HMDB15186 xref: KEGG:C05551 xref: KEGG:D02336 xref: LINCS:LSM-3229 xref: Patent:US3024169 xref: PDBeChem:PNN xref: PMID:10930630 "Europe PMC" xref: PMID:11431418 "Europe PMC" xref: PMID:11906332 "Europe PMC" xref: PMID:12569987 "Europe PMC" xref: PMID:12850488 "Europe PMC" xref: PMID:1384868 "Europe PMC" xref: PMID:16033609 "Europe PMC" xref: PMID:1709917 "Europe PMC" xref: PMID:2083978 "Europe PMC" xref: PMID:24485692 "Europe PMC" xref: PMID:24631718 "Europe PMC" xref: PMID:25998949 "Europe PMC" xref: PMID:27731424 "Europe PMC" xref: PMID:6161899 "Europe PMC" xref: PMID:7602118 "Europe PMC" xref: PMID:7716788 "Europe PMC" xref: Reaxys:44740 "Reaxys" xref: Wikipedia:Benzylpenicillin is_a: CHEBI:88187 ! penicillin allergen relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:53000 ! epitope relationship: is_conjugate_acid_of CHEBI:51354 ! benzylpenicillin(1-) [Term] id: CHEBI:18212 name: selenite(2-) namespace: chebi_ontology alt_id: CHEBI:15077 alt_id: CHEBI:9090 subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "126.95820" RELATED MASS [ChEBI] synonym: "127.901" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[O-][Se]([O-])=O" RELATED SMILES [ChEBI] synonym: "[SeO3](2-)" RELATED [IUPAC] synonym: "InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2" RELATED InChI [ChEBI] synonym: "MCAHWIHFGHIESP-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "O3Se" RELATED FORMULA [KEGG_COMPOUND] synonym: "Selenit" RELATED [ChEBI] synonym: "Selenite" RELATED [KEGG_COMPOUND] synonym: "selenite" EXACT IUPAC_NAME [IUPAC] synonym: "selenite" RELATED [UniProt] synonym: "trioxidoselenate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxoselenate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxoselenate(IV)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14124-67-5 "ChemIDplus" xref: Gmelin:100833 "Gmelin" xref: KEGG:C05684 xref: UM-BBD_compID:c0741 "UM-BBD" is_a: CHEBI:33488 ! selenium oxoanion relationship: is_conjugate_base_of CHEBI:29924 ! hydrogenselenite [Term] id: CHEBI:18222 name: xylose namespace: chebi_ontology alt_id: CHEBI:10085 alt_id: CHEBI:15332 alt_id: CHEBI:27348 alt_id: CHEBI:33944 alt_id: CHEBI:46500 def: "An aldopentose, found in the embryos of most edible plants and used in medicine to test for malabsorption by administration in water to the patient." [] subset: 3_STAR synonym: "C5H10O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "DL-xylose" RELATED [ChEBI] synonym: "Xyl" RELATED [JCBN] synonym: "xylo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "Xylose" EXACT [KEGG_COMPOUND] synonym: "xylose" EXACT [UniProt] synonym: "xylose" EXACT IUPAC_NAME [IUPAC] xref: colombos:XYLOSE xref: KEGG:C01394 xref: Wikipedia:Xylose is_a: CHEBI:33916 ! aldopentose relationship: has_role CHEBI:76924 ! plant metabolite [Term] id: CHEBI:18232 name: D-galactosamine 6-phosphate namespace: chebi_ontology alt_id: CHEBI:12934 alt_id: CHEBI:20953 alt_id: CHEBI:4137 def: "A galactosamine phosphate that is D-galactosamine substituted at position 1 by a monophosphate group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-amino-2-deoxy-6-O-phosphono-D-galactopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "2-amino-2-deoxy-D-galactopyranose 6-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "259.046" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "259.15106" RELATED MASS [ChEBI] synonym: "C6H14NO8P" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-Galactosamine 6-phosphate" EXACT [KEGG_COMPOUND] synonym: "InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "XHMJOUIAFHJHBW-GASJEMHNSA-N" RELATED InChIKey [ChEBI] xref: KEGG:C06377 xref: MetaCyc:D-GALACTOSAMINE-6-PHOSPHATE xref: PMID:15133084 "Europe PMC" xref: PMID:16630633 "Europe PMC" xref: PMID:3102459 "Europe PMC" xref: PMID:8054717 "Europe PMC" xref: Reaxys:4143677 "Reaxys" is_a: CHEBI:24154 ! galactosamine phosphate relationship: has_functional_parent CHEBI:28328 ! D-galactosamine relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:71674 ! D-galactosamine 6-phosphate(1-) [Term] id: CHEBI:18248 name: iron atom namespace: chebi_ontology alt_id: CHEBI:13322 alt_id: CHEBI:24872 alt_id: CHEBI:5974 def: "An iron group element atom that has atomic number 26." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "26Fe" RELATED [IUPAC] synonym: "55.84500" RELATED MASS [ChEBI] synonym: "55.935" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Fe]" RELATED SMILES [ChEBI] synonym: "Eisen" RELATED [ChEBI] synonym: "Fe" RELATED FORMULA [KEGG_COMPOUND] synonym: "Fe" RELATED [IUPAC] synonym: "fer" RELATED [ChEBI] synonym: "ferrum" RELATED [IUPAC] synonym: "hierro" RELATED [ChEBI] synonym: "InChI=1S/Fe" RELATED InChI [ChEBI] synonym: "Iron" RELATED [KEGG_COMPOUND] synonym: "iron" EXACT IUPAC_NAME [IUPAC] synonym: "iron" RELATED [ChEBI] synonym: "XEEYBQQBJWHFJM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7439-89-6 "KEGG COMPOUND" xref: DrugBank:DB01592 xref: HMDB:HMDB15531 xref: KEGG:C00023 xref: Reaxys:4122945 "Reaxys" xref: WebElements:Fe is_a: CHEBI:33356 ! iron group element atom relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:18254 name: ribonucleoside namespace: chebi_ontology alt_id: CHEBI:13014 alt_id: CHEBI:13015 alt_id: CHEBI:13685 alt_id: CHEBI:21085 alt_id: CHEBI:26560 alt_id: CHEBI:4240 alt_id: CHEBI:8844 def: "Any nucleoside where the sugar component is D-ribose." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "133.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "a ribonucleoside" RELATED [UniProt] synonym: "C5H9O4R" RELATED FORMULA [ChEBI] synonym: "OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "Ribonucleoside" EXACT [KEGG_COMPOUND] synonym: "ribonucleosides" RELATED [ChEBI] xref: KEGG:C00911 is_a: CHEBI:33838 ! nucleoside is_a: CHEBI:47019 ! dihydroxytetrahydrofuran [Term] id: CHEBI:18274 name: 2'-deoxyribonucleoside namespace: chebi_ontology alt_id: CHEBI:1083 alt_id: CHEBI:11394 alt_id: CHEBI:11567 alt_id: CHEBI:11568 alt_id: CHEBI:19259 alt_id: CHEBI:19560 alt_id: CHEBI:4421 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "117.055" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "2'-Deoxynucleoside" RELATED [KEGG_COMPOUND] synonym: "2'-deoxyribonucleosides" RELATED [ChEBI] synonym: "2-Deoxy-D-ribosyl-base" RELATED [KEGG_COMPOUND] synonym: "a 2'-deoxyribonucleoside" RELATED [UniProt] synonym: "C5H9O3R" RELATED FORMULA [ChEBI] synonym: "Deoxynucleoside" RELATED [KEGG_COMPOUND] synonym: "OC[C@H]1O[C@@H]([*])C[C@@H]1O" RELATED SMILES [ChEBI] xref: KEGG:C02269 xref: KEGG:C03216 is_a: CHEBI:23636 ! deoxyribonucleoside is_a: CHEBI:47018 ! monohydroxytetrahydrofuran [Term] id: CHEBI:18282 name: nucleobase namespace: chebi_ontology alt_id: CHEBI:13873 alt_id: CHEBI:25598 alt_id: CHEBI:2995 def: "That part of DNA or RNA that may be involved in pairing." [] subset: 3_STAR synonym: "a nucleobase" RELATED [UniProt] synonym: "Base" RELATED [KEGG_COMPOUND] synonym: "nucleobases" RELATED [ChEBI] xref: KEGG:C00701 xref: Wikipedia:Nucleobase is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:18283 name: alpha,alpha-trehalose 6-phosphate namespace: chebi_ontology alt_id: CHEBI:10201 alt_id: CHEBI:12285 alt_id: CHEBI:15252 alt_id: CHEBI:22364 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "422.083" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "422.27638" RELATED MASS [ChEBI] synonym: "alpha,alpha'-Trehalose 6-phosphate" RELATED [KEGG_COMPOUND] synonym: "alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)" RELATED [ChemIDplus] synonym: "C12H23O14P" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1" RELATED InChI [ChEBI] synonym: "LABSPYBHMPDTEL-LIZSDCNHSA-N" RELATED InChIKey [ChEBI] synonym: "OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "Trehalose 6-phosphate" RELATED [KEGG_COMPOUND] xref: Beilstein:59815 "Beilstein" xref: CAS:4484-88-2 "ChemIDplus" xref: DrugBank:DB02430 xref: KEGG:C00689 xref: KEGG:G09795 xref: KNApSAcK:C00007451 is_a: CHEBI:27084 ! trehalose phosphate relationship: has_functional_parent CHEBI:16551 ! alpha,alpha-trehalose relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:58429 ! alpha,alpha-trehalose 6-phosphate(2-) [Term] id: CHEBI:18287 name: L-fucose namespace: chebi_ontology alt_id: CHEBI:13102 alt_id: CHEBI:21293 def: "Any form of fucose having L configuration." [] subset: 3_STAR synonym: "(-)-fucose" RELATED [ChemIDplus] synonym: "(-)-L-fucose" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "164.15648" RELATED MASS [ChEBI] synonym: "6-deoxy-L-galactose" EXACT IUPAC_NAME [IUPAC] synonym: "C6H12O5" RELATED FORMULA [ChEBI] synonym: "L-(-)-fucose" RELATED [ChemIDplus] synonym: "L-Fuc" RELATED [JCBN] synonym: "L-fucose" EXACT IUPAC_NAME [IUPAC] synonym: "L-galactomethylose" RELATED [ChemIDplus] xref: CAS:2438-80-4 "ChemIDplus" xref: PMID:20877283 "Europe PMC" is_a: CHEBI:33984 ! fucose relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:18291 name: manganese atom namespace: chebi_ontology alt_id: CHEBI:13382 alt_id: CHEBI:25153 alt_id: CHEBI:6681 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "25Mn" RELATED [IUPAC] synonym: "54.938" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "54.93805" RELATED MASS [ChEBI] synonym: "[Mn]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Mn" RELATED InChI [ChEBI] synonym: "Mangan" RELATED [NIST_Chemistry_WebBook] synonym: "Manganese" RELATED [KEGG_COMPOUND] synonym: "manganese" EXACT IUPAC_NAME [IUPAC] synonym: "manganese" RELATED [ChEBI] synonym: "manganeso" RELATED [ChEBI] synonym: "manganum" RELATED [ChEBI] synonym: "Mn" RELATED FORMULA [KEGG_COMPOUND] synonym: "Mn" RELATED [IUPAC] synonym: "PWHULOQIROXLJO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7439-96-5 "ChemIDplus" xref: KEGG:C00034 xref: WebElements:Mn is_a: CHEBI:33352 ! manganese group element atom relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:18295 name: histamine namespace: chebi_ontology alt_id: CHEBI:14401 alt_id: CHEBI:24596 alt_id: CHEBI:43187 alt_id: CHEBI:817 def: "A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "111.080" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "111.14518" RELATED MASS [ChEBI] synonym: "1H-Imidazole-4-ethanamine" RELATED [KEGG_COMPOUND] synonym: "2-(1H-imidazol-4-yl)ethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "2-(4-Imidazolyl)ethylamine" RELATED [KEGG_COMPOUND] synonym: "C5H9N3" RELATED FORMULA [KEGG_COMPOUND] synonym: "HISTAMINE" EXACT [PDBeChem] synonym: "Histamine" EXACT [KEGG_COMPOUND] synonym: "InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)" RELATED InChI [ChEBI] synonym: "NCCc1c[nH]cn1" RELATED SMILES [ChEBI] synonym: "NTYJJOPFIAHURM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2012 "Beilstein" xref: CAS:51-45-6 "ChemIDplus" xref: Drug_Central:1375 "DrugCentral" xref: Gmelin:2968 "Gmelin" xref: HMDB:HMDB00870 xref: KEGG:C00388 xref: KEGG:D08040 xref: KNApSAcK:C00001414 xref: MetaCyc:HISTAMINE xref: PDBeChem:HSM xref: PMID:16399866 "Europe PMC" xref: PMID:19547708 "Europe PMC" xref: PMID:19843401 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:24101735 "Europe PMC" xref: Reaxys:2012 "Reaxys" xref: Wikipedia:Histamine is_a: CHEBI:24780 ! imidazoles is_a: CHEBI:64365 ! aralkylamino compound relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:58432 ! histaminium [Term] id: CHEBI:18300 name: maleic acid namespace: chebi_ontology alt_id: CHEBI:25119 alt_id: CHEBI:43836 alt_id: CHEBI:6653 def: "A butenedioic acid in which the double bond has cis- (Z)-configuration." [] subset: 3_STAR synonym: "(2Z)-but-2-enedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(Z)-2-butenedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(Z)-butenedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "116.011" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "116.07216" RELATED MASS [ChEBI] synonym: "C4H4O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "cis-1,2-ethylenedicarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "cis-but-2-enedioic acid" RELATED [IUPAC] synonym: "cis-Butenedioic acid" RELATED [KEGG_COMPOUND] synonym: "H2male" RELATED [IUPAC] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-" RELATED InChI [ChEBI] synonym: "MALEIC ACID" EXACT [PDBeChem] synonym: "Maleic acid" EXACT [KEGG_COMPOUND] synonym: "OC(=O)\\C=C/C(O)=O" RELATED SMILES [ChEBI] synonym: "toxilic acid" RELATED [NIST_Chemistry_WebBook] synonym: "VZCYOOQTPOCHFL-UPHRSURJSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1903639 "Beilstein" xref: Beilstein:605762 "Beilstein" xref: CAS:110-16-7 "ChemIDplus" xref: DrugBank:DB04299 xref: Gmelin:49854 "Gmelin" xref: HMDB:HMDB00176 xref: KEGG:C01384 xref: KNApSAcK:C00007417 xref: MetaCyc:MALEATE xref: PDBeChem:MAE xref: PMID:10952545 "Europe PMC" xref: PMID:11386868 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:9591280 "Europe PMC" xref: Reaxys:605762 "Reaxys" xref: Wikipedia:Maleic_acid is_a: CHEBI:22958 ! butenedioic acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:37156 ! maleate(1-) [Term] id: CHEBI:18308 name: acrylic acid namespace: chebi_ontology alt_id: CHEBI:19766 alt_id: CHEBI:19768 alt_id: CHEBI:35853 alt_id: CHEBI:40714 alt_id: CHEBI:8487 def: "A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-Propenoic acid" RELATED [KEGG_COMPOUND] synonym: "72.021" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "72.06266" RELATED MASS [ChEBI] synonym: "acroleic acid" RELATED [ChemIDplus] synonym: "Acrylate" RELATED [KEGG_COMPOUND] synonym: "ACRYLIC ACID" EXACT [PDBeChem] synonym: "Acrylic acid" EXACT [KEGG_COMPOUND] synonym: "C3H4O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "ethylenecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" RELATED InChI [ChEBI] synonym: "NIXOWILDQLNWCW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "OC(=O)C=C" RELATED SMILES [ChEBI] synonym: "prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Propenoate" RELATED [KEGG_COMPOUND] synonym: "Propenoic acid" RELATED [ChemIDplus] synonym: "Vinylformic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:635743 "Beilstein" xref: CAS:79-10-7 "KEGG COMPOUND" xref: DrugBank:DB02579 xref: Gmelin:1817 "Gmelin" xref: HMDB:HMDB31647 xref: KEGG:C00511 xref: LIPID_MAPS_instance:LMFA01030193 "LIPID MAPS" xref: MetaCyc:MY148411 xref: MetaCyc:MY149879 xref: PDBeChem:AKR xref: PMID:24650085 "Europe PMC" xref: PMID:24673501 "Europe PMC" xref: Reaxys:635743 "Reaxys" xref: Wikipedia:Acrylic_acid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_acid_of CHEBI:37080 ! acrylate [Term] id: CHEBI:18310 name: alkane namespace: chebi_ontology alt_id: CHEBI:13435 alt_id: CHEBI:22317 alt_id: CHEBI:2576 def: "An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "15.023" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "alcane" RELATED [IUPAC] synonym: "alcanes" RELATED [IUPAC] synonym: "alcano" RELATED [IUPAC] synonym: "alcanos" RELATED [IUPAC] synonym: "Alkan" RELATED [ChEBI] synonym: "Alkane" EXACT [KEGG_COMPOUND] synonym: "alkane" EXACT IUPAC_NAME [IUPAC] synonym: "alkanes" EXACT IUPAC_NAME [IUPAC] synonym: "an alkane" RELATED [UniProt] synonym: "C[*]" RELATED SMILES [ChEBI] synonym: "CH3R" RELATED FORMULA [ChEBI] synonym: "RH" RELATED [KEGG_COMPOUND] xref: KEGG:C01371 is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:33653 ! aliphatic compound [Term] id: CHEBI:18367 name: phosphate(3-) namespace: chebi_ontology alt_id: CHEBI:14791 alt_id: CHEBI:45024 alt_id: CHEBI:7793 def: "A phosphate ion that is the conjugate base of hydrogenphosphate." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "94.953" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "94.97136" RELATED MASS [ChEBI] synonym: "[O-]P([O-])([O-])=O" RELATED SMILES [ChEBI] synonym: "[PO4](3-)" RELATED [IUPAC] synonym: "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3" RELATED InChI [ChEBI] synonym: "NBIIXXVUZAFLBC-UHFFFAOYSA-K" RELATED InChIKey [ChEBI] synonym: "O4P" RELATED FORMULA [ChEBI] synonym: "Orthophosphate" RELATED [KEGG_COMPOUND] synonym: "Phosphate" RELATED [KEGG_COMPOUND] synonym: "phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "PHOSPHATE ION" RELATED [PDBeChem] synonym: "PO4(3-)" RELATED [IUPAC] synonym: "tetraoxidophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3903772 "Beilstein" xref: CAS:14265-44-2 "ChemIDplus" xref: Gmelin:1997 "Gmelin" xref: KEGG:C00009 xref: PDBeChem:PO4 "ChEBI" xref: Reaxys:3903772 "Reaxys" is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:43474 ! hydrogenphosphate [Term] id: CHEBI:18375 name: nucleoside 3',5'-cyclic phosphate namespace: chebi_ontology alt_id: CHEBI:1331 alt_id: CHEBI:14672 alt_id: CHEBI:19833 def: "A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "178.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "178.07980" RELATED MASS [ChEBI] synonym: "C5H7O5PR2" RELATED FORMULA [ChEBI] synonym: "nucleoside 3',5'-cyclic phosphates" RELATED [ChEBI] synonym: "OP1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1" RELATED SMILES [ChEBI] is_a: CHEBI:23447 ! cyclic nucleotide relationship: is_conjugate_acid_of CHEBI:58464 ! nucleoside 3',5'-cyclic phosphate anion [Term] id: CHEBI:18379 name: nitrile namespace: chebi_ontology alt_id: CHEBI:13212 alt_id: CHEBI:13426 alt_id: CHEBI:13660 alt_id: CHEBI:25547 alt_id: CHEBI:7584 def: "A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "26.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "26.01740" RELATED MASS [ChEBI] synonym: "[*]C#N" RELATED SMILES [ChEBI] synonym: "a nitrile" RELATED [UniProt] synonym: "CNR" RELATED FORMULA [ChEBI] synonym: "Nitril" RELATED [ChEBI] synonym: "Nitrile" EXACT [KEGG_COMPOUND] synonym: "nitrile" EXACT [IUPAC] synonym: "nitriles" EXACT IUPAC_NAME [IUPAC] synonym: "nitrilos" RELATED [IUPAC] synonym: "R-CN" RELATED [KEGG_COMPOUND] xref: KEGG:C00726 is_a: CHEBI:23424 ! cyanides relationship: has_part CHEBI:48819 ! cyano group [Term] id: CHEBI:18385 name: thiamine(1+) namespace: chebi_ontology alt_id: CHEBI:15227 alt_id: CHEBI:26941 alt_id: CHEBI:46393 alt_id: CHEBI:9530 subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "265.112" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "265.35574" RELATED MASS [ChEBI] synonym: "3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM" RELATED [PDBeChem] synonym: "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium" EXACT IUPAC_NAME [IUPAC] synonym: "Aneurin" RELATED [KEGG_COMPOUND] synonym: "Antiberiberi factor" RELATED [KEGG_COMPOUND] synonym: "C12H17N4OS" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1" RELATED InChI [ChEBI] synonym: "JZRWCGZRTZMZEH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Thiamin" RELATED [KEGG_COMPOUND] synonym: "Thiamine" RELATED [KEGG_COMPOUND] synonym: "thiamine" RELATED [UniProt] synonym: "thiamine(1+) ion" RELATED [ChEBI] synonym: "thiaminium" RELATED [ChEBI] synonym: "Vitamin B1" RELATED [KEGG_COMPOUND] xref: Beilstein:3595616 "Beilstein" xref: Drug_Central:2832 "DrugCentral" xref: DrugBank:DB00152 xref: Gmelin:334462 "Gmelin" xref: KEGG:C00378 xref: KEGG:D08580 xref: KNApSAcK:C00000775 xref: LINCS:LSM-5996 xref: PDBeChem:VIB xref: Wikipedia:Thiamine is_a: CHEBI:26948 ! thiamine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:49107 ! thiamine(2+) [Term] id: CHEBI:18391 name: D-gluconate namespace: chebi_ontology alt_id: CHEBI:12955 alt_id: CHEBI:20983 alt_id: CHEBI:20985 def: "A gluconate having D-configuration." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "195.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "195.14730" RELATED MASS [ChEBI] synonym: "2,3,4,5,6-pentahydroxyhexanoate" RELATED [HMDB] synonym: "C6H11O7" RELATED FORMULA [ChEBI] synonym: "D-gluconate" EXACT IUPAC_NAME [IUPAC] synonym: "D-gluconate" EXACT [UniProt] synonym: "Dextronate" RELATED [HMDB] synonym: "Glycogenate" RELATED [HMDB] synonym: "Glyconate" RELATED [HMDB] synonym: "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3-,4+,5-/m1/s1" RELATED InChI [ChEBI] synonym: "Maltonate" RELATED [HMDB] synonym: "OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "RGHNJXZEOKUKBD-SQOUGZDYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3906521 "Beilstein" xref: Gmelin:83544 "Gmelin" xref: HMDB:HMDB00625 xref: KEGG:C00257 "ChEBI" xref: MetaCyc:GLUCONATE xref: PMID:17439666 "Europe PMC" xref: Reaxys:3906521 "Reaxys" is_a: CHEBI:24265 ! gluconate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:33198 ! D-gluconic acid [Term] id: CHEBI:18401 name: phenylacetate namespace: chebi_ontology alt_id: CHEBI:14779 alt_id: CHEBI:25975 def: "A monocarboxylic acid anion that is the conjugate base of phenylacetic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "135.045" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "135.13998" RELATED MASS [ChEBI] synonym: "2-phenylethanoate" RELATED [ChEBI] synonym: "[O-]C(=O)Cc1ccccc1" RELATED SMILES [ChEBI] synonym: "C8H7O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "phenylacetate" EXACT [UniProt] synonym: "phenylacetate" EXACT IUPAC_NAME [IUPAC] synonym: "phenylacetate anion" RELATED [ChEBI] synonym: "phenylacetate(1-)" RELATED [ChEBI] synonym: "phenylacetic acid anion" RELATED [ChEBI] synonym: "WLJVXDMOQOGPHL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3539899 "Beilstein" xref: Gmelin:327522 "Gmelin" xref: MetaCyc:PHENYLACETATE xref: Reaxys:3539899 "Reaxys" xref: UM-BBD_compID:c0211 "UM-BBD" is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_functional_parent CHEBI:30089 ! acetate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30745 ! phenylacetic acid [Term] id: CHEBI:18407 name: hydrogen cyanide namespace: chebi_ontology alt_id: CHEBI:13362 alt_id: CHEBI:5786 def: "A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom" [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "27.011" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "27.02530" RELATED MASS [ChEBI] synonym: "[CHN]" RELATED [IUPAC] synonym: "Blausaeure" RELATED [ChEBI] synonym: "C#N" RELATED SMILES [ChEBI] synonym: "CHN" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cyanwasserstoff" RELATED [NIST_Chemistry_WebBook] synonym: "formonitrile" RELATED [IUPAC] synonym: "HCN" RELATED [KEGG_COMPOUND] synonym: "hydridonitridocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocyanic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Hydrogen cyanide" EXACT [KEGG_COMPOUND] synonym: "hydrogen cyanide" EXACT [IUPAC] synonym: "hydrogen cyanide" EXACT [UniProt] synonym: "hydrogen(nitridocarbonate)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/CHN/c1-2/h1H" RELATED InChI [ChEBI] synonym: "LELOWRISYMNNSU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "methanenitrile" EXACT IUPAC_NAME [IUPAC] xref: CAS:74-90-8 "KEGG COMPOUND" xref: HMDB:HMDB60292 xref: KEGG:C01326 xref: KNApSAcK:C00007569 xref: MetaCyc:HCN xref: PMID:19849830 "Europe PMC" xref: PMID:26700190 "Europe PMC" xref: PMID:26778429 "Europe PMC" xref: PMID:26823582 "Europe PMC" xref: PMID:26940198 "Europe PMC" xref: PMID:27123778 "Europe PMC" xref: Reaxys:1718793 "Reaxys" xref: Wikipedia:Hydrogen_cyanide is_a: CHEBI:33405 ! hydracid is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:64909 ! poison relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:17514 ! cyanide relationship: is_tautomer_of CHEBI:36856 ! hydrogen isocyanide [Term] id: CHEBI:18421 name: superoxide namespace: chebi_ontology alt_id: CHEBI:15143 alt_id: CHEBI:26839 alt_id: CHEBI:7710 subset: 3_STAR synonym: "(O2)(.-)" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "31.990" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "31.99880" RELATED MASS [ChEBI] synonym: "[O][O-]" RELATED SMILES [ChEBI] synonym: "dioxidanidyl" EXACT IUPAC_NAME [IUPAC] synonym: "dioxide(.1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dioxide(1-)" RELATED [IUPAC] synonym: "Hyperoxid" RELATED [ChEBI] synonym: "hyperoxide" RELATED [IUPAC] synonym: "InChI=1S/HO2/c1-2/h1H/p-1" RELATED InChI [ChEBI] synonym: "O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "O2(-)" RELATED [IUPAC] synonym: "O2(.-)" RELATED [IUPAC] synonym: "O2-" RELATED [KEGG_COMPOUND] synonym: "O2.-" RELATED [KEGG_COMPOUND] synonym: "OUUQCZGPVNCOIJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "superoxide" EXACT [IUPAC] synonym: "superoxide" EXACT [UniProt] synonym: "Superoxide anion" RELATED [KEGG_COMPOUND] synonym: "superoxide anion radical" RELATED [ChemIDplus] synonym: "superoxide radical" RELATED [ChEBI] synonym: "superoxide radical anion" RELATED [ChEBI] synonym: "superoxyde" RELATED [ChEBI] xref: CAS:11062-77-4 "NIST Chemistry WebBook" xref: Gmelin:487 "Gmelin" xref: KEGG:C00704 is_a: CHEBI:33263 ! diatomic oxygen is_a: CHEBI:36876 ! inorganic radical anion is_a: CHEBI:61073 ! oxygen radical relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:19203 name: 1H-pyrrole namespace: chebi_ontology def: "A tautomer of pyrrole that has the double bonds at positions 2 and 4." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-aza-2,4-cyclopentadiene" RELATED [ChemIDplus] synonym: "1H-pyrrole" EXACT [UniProt] synonym: "1H-pyrrole" EXACT IUPAC_NAME [IUPAC] synonym: "67.042" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "67.08924" RELATED MASS [ChEBI] synonym: "c1cc[nH]c1" RELATED SMILES [ChEBI] synonym: "C4H5N" RELATED FORMULA [ChEBI] synonym: "divinyleneimine" RELATED [ChemIDplus] synonym: "divinylenimine" RELATED [NIST_Chemistry_WebBook] synonym: "imidole" RELATED [ChemIDplus] synonym: "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" RELATED InChI [ChEBI] synonym: "KAESVJOAVNADME-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "monopyrrole" RELATED [ChemIDplus] synonym: "Pyrrol" RELATED [NIST_Chemistry_WebBook] synonym: "pyrrole" RELATED [ChemIDplus] xref: Beilstein:1159 "Beilstein" xref: CAS:109-97-7 "NIST Chemistry WebBook" xref: Gmelin:1705 "Gmelin" xref: PMID:1556177 "Europe PMC" xref: PMID:2917974 "Europe PMC" is_a: CHEBI:35556 ! pyrrole relationship: is_tautomer_of CHEBI:35557 ! 3H-pyrrole relationship: is_tautomer_of CHEBI:35558 ! 2H-pyrrole [Term] id: CHEBI:19237 name: 2'-deoxyadenosine 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "2'-deoxyadenosine 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:19239 ! 2'-deoxyadenosine phosphate [Term] id: CHEBI:19239 name: 2'-deoxyadenosine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "2'-deoxyadenosine phosphates" RELATED [ChEBI] is_a: CHEBI:23612 ! deoxyadenosine phosphate [Term] id: CHEBI:19254 name: purine 2'-deoxyribonucleoside namespace: chebi_ontology subset: 3_STAR synonym: "purine 2'-deoxyribonucleosides" RELATED [ChEBI] is_a: CHEBI:18274 ! 2'-deoxyribonucleoside is_a: CHEBI:60173 ! purine deoxyribonucleoside [Term] id: CHEBI:19260 name: 2'-deoxyribonucleotide namespace: chebi_ontology subset: 3_STAR synonym: "2'-deoxyribonucleotides" RELATED [ChEBI] is_a: CHEBI:19569 ! 2-deoxyribose phosphate is_a: CHEBI:4431 ! deoxyribonucleotide is_a: CHEBI:47018 ! monohydroxytetrahydrofuran [Term] id: CHEBI:19569 name: 2-deoxyribose phosphate namespace: chebi_ontology alt_id: CHEBI:60749 def: "A deoxyaldopentose phosphate in which the deoxyaldopentose is 2-deoxyribose." [] subset: 3_STAR synonym: "2-deoxyribose phosphates" RELATED [ChEBI] synonym: "deoxyribose phosphate" RELATED [ChEBI] is_a: CHEBI:23634 ! deoxyaldopentose phosphate [Term] id: CHEBI:19834 name: 3',5'-cyclic purine nucleotide namespace: chebi_ontology subset: 3_STAR synonym: "3',5'-cyclic purine nucleotides" RELATED [ChEBI] is_a: CHEBI:18375 ! nucleoside 3',5'-cyclic phosphate is_a: CHEBI:36982 ! cyclic purine nucleotide [Term] id: CHEBI:204928 name: cefotaxime namespace: chebi_ontology alt_id: CHEBI:112504 alt_id: CHEBI:3497 alt_id: CHEBI:41475 def: "A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups." [] subset: 3_STAR synonym: "(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" RELATED [IUPAC] synonym: "(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid" RELATED [ChEMBL] synonym: "(6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid" RELATED [ChEMBL] synonym: "0" RELATED CHARGE [ChEBI] synonym: "3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "455.057" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "455.46500" RELATED MASS [ChEBI] synonym: "[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C(O)=O" RELATED SMILES [ChEBI] synonym: "C16H17N5O7S2" RELATED FORMULA [KEGG_COMPOUND] synonym: "cefotaxima" RELATED INN [ChemIDplus] synonym: "cefotaxime" RELATED INN [KEGG_DRUG] synonym: "cefotaximum" RELATED INN [ChemIDplus] synonym: "Cephotaxime" RELATED [ChemIDplus] synonym: "GPRBEKHLDVQUJE-QSWIMTSFSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1" RELATED InChI [ChEBI] xref: Beilstein:1096643 "Beilstein" xref: CAS:63527-52-6 "KEGG DRUG" xref: colombos:CEFOTAXIME xref: Drug_Central:546 "DrugCentral" xref: DrugBank:DB00493 xref: KEGG:C06885 xref: KEGG:D07647 xref: Patent:DE2556736 xref: Patent:DE2702501 xref: Patent:US4098888 xref: Patent:US4152432 xref: PDBeChem:CE3 xref: PMID:10866367 "ChEMBL" xref: PMID:11034276 "Europe PMC" xref: PMID:11061623 "Europe PMC" xref: PMID:11677129 "ChEMBL" xref: PMID:12833570 "Europe PMC" xref: PMID:1384868 "Europe PMC" xref: PMID:14512220 "Europe PMC" xref: PMID:1502708 "Europe PMC" xref: PMID:15164972 "Europe PMC" xref: PMID:15361989 "Europe PMC" xref: PMID:15969234 "Europe PMC" xref: PMID:1635063 "ChEMBL" xref: PMID:17006042 "Europe PMC" xref: PMID:17386217 "Europe PMC" xref: PMID:18611527 "Europe PMC" xref: PMID:19741292 "Europe PMC" xref: PMID:21425867 "Europe PMC" xref: PMID:24038683 "Europe PMC" xref: PMID:24211456 "Europe PMC" xref: PMID:9131470 "Europe PMC" xref: Reaxys:1096643 "Reaxys" xref: Wikipedia:Cefotaxime is_a: CHEBI:23066 ! cephalosporin is_a: CHEBI:36816 ! oxime O-ether is_a: CHEBI:38418 ! 1,3-thiazole relationship: has_role CHEBI:36047 ! antibacterial drug relationship: is_conjugate_acid_of CHEBI:53670 ! cefotaxime(1-) [Term] id: CHEBI:20569 name: EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19)." [] subset: 3_STAR synonym: "3-enol-pyruvoylshikimate-5-phosphate synthase inhibitor" RELATED [ChEBI] synonym: "3-enol-pyruvoylshikimate-5-phosphate synthase inhibitors" RELATED [ChEBI] synonym: "3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitor" RELATED [ChEBI] synonym: "3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitors" RELATED [ChEBI] synonym: "3-phosphoshikimate 1-carboxyvinyltransferase inhibitor" RELATED [ChEBI] synonym: "3-phosphoshikimate 1-carboxyvinyltransferase inhibitors" RELATED [ChEBI] synonym: "5-enolpyruvylshikimate-3-phosphate synthase inhibitor" RELATED [ChEBI] synonym: "5-enolpyruvylshikimate-3-phosphate synthase inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.19 inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.19 inhibitors" RELATED [ChEBI] synonym: "EPSP synthase inhibitor" RELATED [ChEBI] synonym: "EPSP synthase inhibitors" RELATED [ChEBI] synonym: "phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitor" RELATED [ChEBI] synonym: "phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:20664 name: 5beta-cholane namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "330.329" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "330.59028" RELATED MASS [ChEBI] synonym: "5beta-cholane" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC" RELATED SMILES [ChEBI] synonym: "C24H42" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "QSHQKIURKJITMZ-OBUPQJQESA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2048472 "Beilstein" is_a: CHEBI:35519 ! cholane [Term] id: CHEBI:20702 name: 2-aminopurines namespace: chebi_ontology def: "Any aminopurine having the amino substituent at the 2-position." [] subset: 3_STAR synonym: "2-aminopurines" EXACT [ChEBI] is_a: CHEBI:22527 ! aminopurine [Term] id: CHEBI:20706 name: 6-aminopurines namespace: chebi_ontology def: "Any compound having 6-aminopurine (adenine) as part of its structure." [] subset: 3_STAR synonym: "6-aminopurines" EXACT [ChEBI] xref: PMID:1646334 "Europe PMC" xref: PMID:18524423 "Europe PMC" xref: PMID:7342604 "Europe PMC" is_a: CHEBI:22527 ! aminopurine [Term] id: CHEBI:20854 name: ATP synthase inhibitor namespace: chebi_ontology def: "A mitochondrial respiratory-chain inhibitor that interferes with the action of ATP synthase." [] subset: 3_STAR is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor is_a: CHEBI:73216 ! EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor [Term] id: CHEBI:21006 name: D-glucose monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "C6H13O9P" RELATED FORMULA [ChEBI] synonym: "D-glucose monophosphate" EXACT [ChEBI] synonym: "D-glucose monophosphates" RELATED [ChEBI] is_a: CHEBI:21008 ! glucose phosphate relationship: has_functional_parent CHEBI:17634 ! D-glucose [Term] id: CHEBI:21008 name: glucose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "glucose phosphates" RELATED [ChEBI] is_a: CHEBI:21037 ! aldohexose phosphate [Term] id: CHEBI:21037 name: aldohexose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "aldohexose phosphate" EXACT [ChEBI] synonym: "aldohexose phosphates" RELATED [ChEBI] is_a: CHEBI:35131 ! aldose phosphate is_a: CHEBI:47878 ! hexose phosphate [Term] id: CHEBI:21241 name: vitamin C namespace: chebi_ontology subset: 3_STAR synonym: "Vitamin C" EXACT [ChEBI] synonym: "vitamina C" RELATED [ChEBI] synonym: "vitamine C" RELATED [ChEBI] synonym: "vitaminum C" RELATED [ChEBI] xref: PMID:21885436 "Europe PMC" is_a: CHEBI:27314 ! water-soluble vitamin is_a: CHEBI:85046 ! skin lightening agent [Term] id: CHEBI:21336 name: L-idonic acid namespace: chebi_ontology def: "The L-enantiomer of idonic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "196.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "196.15530" RELATED MASS [ChEBI] synonym: "C6H12O7" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5+/m0/s1" RELATED InChI [ChEBI] synonym: "L-idonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "RGHNJXZEOKUKBD-SKNVOMKLSA-N" RELATED InChIKey [ChEBI] xref: CAS:1114-17-6 "KEGG COMPOUND" xref: ECMDB:ECMDB21376 xref: KEGG:C00770 xref: PMID:1182275 "Europe PMC" xref: PMID:14973046 "Europe PMC" xref: Reaxys:1726056 "Reaxys" is_a: CHEBI:21337 ! idonic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:17796 ! L-idonate [Term] id: CHEBI:21337 name: idonic acid namespace: chebi_ontology subset: 3_STAR synonym: "C6H12O7" RELATED FORMULA [ChEBI] synonym: "L-idonic acids" RELATED [ChEBI] is_a: CHEBI:33752 ! hexonic acid relationship: is_conjugate_acid_of CHEBI:33529 ! idonate [Term] id: CHEBI:21545 name: N-acetyl-L-amino acid namespace: chebi_ontology def: "An L-amino acid having an N-acetyl substituent." [] subset: 3_STAR is_a: CHEBI:21575 ! N-acetyl-amino acid is_a: CHEBI:21644 ! N-acyl-L-amino acid [Term] id: CHEBI:21575 name: N-acetyl-amino acid namespace: chebi_ontology alt_id: CHEBI:7105 def: "An N-acyl-amino acid that has acetyl as the acyl group." [] subset: 3_STAR synonym: "N-Acetyl amino acid" RELATED [KEGG_COMPOUND] synonym: "N-acetyl-amino acids" RELATED [ChEBI] is_a: CHEBI:22160 ! acetamides is_a: CHEBI:22195 ! acetyl-amino acid is_a: CHEBI:51569 ! N-acyl-amino acid relationship: has_functional_parent CHEBI:15366 ! acetic acid [Term] id: CHEBI:21601 name: N-acetyl-D-hexosamine namespace: chebi_ontology def: "Any N-acetylhexosamine in which the hexosamine has D-configuration. The structure provided is an illustrative example of the pyranose form of an N-acetyl-D-hexosamine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "221.090" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "221.208" RELATED MASS [ChEBI] synonym: "C1(C(C([C@@H](CO)OC1O)O)O)NC(C)=O" RELATED SMILES [ChEBI] synonym: "C8H15NO6" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5?,6?,7?,8?/m1/s1" RELATED InChI [ChEBI] synonym: "N-acetyl-D-hexosamine" EXACT [UniProt] synonym: "N-acetyl-D-hexosamines" RELATED [ChEBI] synonym: "N-acetylhexosamine" RELATED [ChEBI] synonym: "N-acetylhexosamines" RELATED [ChEBI] synonym: "OVRNDRQMDRJTHS-BKJPEWSUSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:7203 ! N-acetylhexosamine [Term] id: CHEBI:21619 name: N-acetylneuraminates namespace: chebi_ontology subset: 3_STAR synonym: "N-acetylneuraminate" RELATED [ChEBI] is_a: CHEBI:21663 ! N-acylneuraminates [Term] id: CHEBI:21622 name: N-acetylneuraminic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:16498 ! N-acylneuraminic acid [Term] id: CHEBI:21637 name: N-acyl-D-glucosamine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "N-acyl-D-glucosamine phosphates" RELATED [ChEBI] is_a: CHEBI:24269 ! glucosamine phosphate [Term] id: CHEBI:21638 name: N-acylglucosamine namespace: chebi_ontology subset: 3_STAR synonym: "N-acylglucosamine" EXACT [ChEBI] synonym: "N-acylglucosamines" RELATED [ChEBI] is_a: CHEBI:21656 ! N-acyl-hexosamine is_a: CHEBI:24271 ! glucosamines [Term] id: CHEBI:21644 name: N-acyl-L-amino acid namespace: chebi_ontology def: "Any N-acylamino acid having L-configuration." [] subset: 3_STAR is_a: CHEBI:51569 ! N-acyl-amino acid relationship: is_enantiomer_of CHEBI:15778 ! N-acyl-D-amino acid [Term] id: CHEBI:21655 name: N-acylgalactosamine namespace: chebi_ontology subset: 3_STAR synonym: "N-acylgalactosamine" EXACT [ChEBI] synonym: "N-acylgalactosamines" RELATED [ChEBI] is_a: CHEBI:21656 ! N-acyl-hexosamine is_a: CHEBI:24156 ! galactosamine [Term] id: CHEBI:21656 name: N-acyl-hexosamine namespace: chebi_ontology subset: 3_STAR synonym: "N-acyl-hexosamine" EXACT [ChEBI] synonym: "N-acyl-hexosamines" RELATED [ChEBI] is_a: CHEBI:24586 ! hexosamine [Term] id: CHEBI:21663 name: N-acylneuraminates namespace: chebi_ontology subset: 3_STAR synonym: "N-acylneuraminate" RELATED [ChEBI] is_a: CHEBI:25506 ! neuraminates [Term] id: CHEBI:21731 name: N-glycosyl compound namespace: chebi_ontology def: "A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond." [] subset: 3_STAR synonym: "glycosylamine" EXACT IUPAC_NAME [IUPAC] synonym: "glycosylamines" RELATED [IUPAC] synonym: "N-glycoside" RELATED [ChEBI] synonym: "N-glycosides" RELATED [ChEBI] synonym: "N-glycosyl compounds" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:63161 ! glycosyl compound [Term] id: CHEBI:21759 name: N-methyl-N'-nitro-N-nitrosoguanidine namespace: chebi_ontology alt_id: CHEBI:34872 def: "An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position" [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-Methyl-1-nitroso-3-nitroguanidine" RELATED [ChemIDplus] synonym: "1-Methyl-3-nitro-1-nitrosoguanidine" RELATED [KEGG_COMPOUND] synonym: "1-methyl-3-nitro-1-nitrosoguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "1-Nitroso-3-nitro-1-methylguanidine" RELATED [ChemIDplus] synonym: "147.039" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.09280" RELATED MASS [ChEBI] synonym: "C2H5N5O3" RELATED FORMULA [ChEBI] synonym: "CN(N=O)C(=N)N[N+]([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)" RELATED InChI [ChEBI] synonym: "Methylnitronitrosoguanidine" RELATED [KEGG_COMPOUND] synonym: "MNG" RELATED [ChemIDplus] synonym: "MNNG" RELATED [KEGG_COMPOUND] synonym: "MNNG" RELATED [ChemIDplus] synonym: "N'-Nitro-N-nitroso-N-methylguanidine" RELATED [ChemIDplus] synonym: "N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide" RELATED [NIST_Chemistry_WebBook] synonym: "N-Methyl-N'-nitro-N-nitrosoguanidine" EXACT [KEGG_COMPOUND] synonym: "N-Methyl-N-nitroso-N'-nitroguanidine" RELATED [ChEBI] synonym: "N-Methyl-N-nitroso-N'-nitroguanidine" RELATED [ChemIDplus] synonym: "N-Methyl-N-nitrosonitroguanidin" RELATED [ChEBI] synonym: "N-Nitroso-N-methyl-N'-nitroguanidine" RELATED [ChemIDplus] synonym: "VZUNGTLZRAYYDE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1779490 "Beilstein" xref: CAS:70-25-7 "ChemIDplus" xref: KEGG:C14592 is_a: CHEBI:35800 ! nitroso compound relationship: has_functional_parent CHEBI:39179 ! nitroguanidine relationship: has_role CHEBI:22333 ! alkylating agent [Term] id: CHEBI:22063 name: sulfoxide namespace: chebi_ontology alt_id: CHEBI:35813 def: "An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H)." [] subset: 3_STAR synonym: "S-oxides" RELATED [ChEBI] synonym: "sulfoxide" EXACT [ChEBI] synonym: "sulfoxides" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:22160 name: acetamides namespace: chebi_ontology def: "Compounds with the general formula RNHC(=O)CH3." [] subset: 3_STAR is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:22194 name: acetyl-L-serine namespace: chebi_ontology def: "An acetyl-amino acid in which the amino acid specified is L-serine." [] subset: 3_STAR synonym: "acetyl-L-serines" RELATED [ChEBI] is_a: CHEBI:22195 ! acetyl-amino acid is_a: CHEBI:84135 ! L-serine derivative [Term] id: CHEBI:22195 name: acetyl-amino acid namespace: chebi_ontology def: "Any amino acid derivative that is the N-acetyl or O-acetyl derivative of an amino acid." [] subset: 3_STAR synonym: "acetyl-amino acids" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:22213 name: acridines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:39206 ! dibenzopyridine [Term] id: CHEBI:22221 name: acyl group namespace: chebi_ontology def: "An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids." [] subset: 3_STAR synonym: "acyl group" EXACT [IUPAC] synonym: "acyl groups" RELATED [ChEBI] synonym: "alkanoyl" EXACT IUPAC_NAME [IUPAC] synonym: "alkanoyl group" RELATED [ChEBI] synonym: "groupe acyle" RELATED [IUPAC] is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:22251 name: adenosine bisphosphate namespace: chebi_ontology subset: 3_STAR synonym: "adenosine bisphosphates" RELATED [ChEBI] is_a: CHEBI:22256 ! adenosine phosphate is_a: CHEBI:61078 ! purine nucleoside bisphosphate is_a: CHEBI:61079 ! ribonucleoside bisphosphate [Term] id: CHEBI:22256 name: adenosine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "adenosine phosphates" RELATED [ChEBI] is_a: CHEBI:61296 ! adenyl ribonucleotide relationship: has_functional_parent CHEBI:16335 ! adenosine [Term] id: CHEBI:22260 name: adenosines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26399 ! purine ribonucleoside relationship: has_functional_parent CHEBI:16708 ! adenine [Term] id: CHEBI:22289 name: aldaric acid anion namespace: chebi_ontology subset: 3_STAR synonym: "aldarate" RELATED [ChEBI] synonym: "aldarates" RELATED [ChEBI] synonym: "aldaric acid anions" RELATED [ChEBI] is_a: CHEBI:33721 ! carbohydrate acid anion is_a: CHEBI:35693 ! dicarboxylic acid anion relationship: is_conjugate_base_of CHEBI:22290 ! aldaric acid [Term] id: CHEBI:22290 name: aldaric acid namespace: chebi_ontology def: "Dicarboxylic acids formed from aldoses by replacement of both terminal groups (CHO and CH2OH) by carboxy groups." [] subset: 3_STAR synonym: "aldaric acid" EXACT [ChEBI] synonym: "aldaric acids" RELATED [ChEBI] is_a: CHEBI:33720 ! carbohydrate acid is_a: CHEBI:35692 ! dicarboxylic acid relationship: is_conjugate_acid_of CHEBI:22289 ! aldaric acid anion [Term] id: CHEBI:22297 name: alditol phosphate namespace: chebi_ontology subset: 3_STAR synonym: "alditol phosphate" EXACT [ChEBI] synonym: "alditol phosphates" RELATED [ChEBI] is_a: CHEBI:26816 ! carbohydrate phosphate is_a: CHEBI:63423 ! alditol derivative [Term] id: CHEBI:22299 name: aldonate namespace: chebi_ontology subset: 3_STAR synonym: "aldonate" EXACT [ChEBI] synonym: "aldonates" RELATED [ChEBI] is_a: CHEBI:33721 ! carbohydrate acid anion is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:22301 ! aldonic acid [Term] id: CHEBI:22301 name: aldonic acid namespace: chebi_ontology def: "Any carbohydrate acid formed by oxidising the aldehyde functional group of an aldose to a carboxylic acid functional group. Aldonic acids have the general formula HOCH2[CH(OH)]nC(=O)OH." [] subset: 3_STAR synonym: "aldonic acid" EXACT [ChEBI] synonym: "aldonic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:33720 ! carbohydrate acid relationship: is_conjugate_acid_of CHEBI:22299 ! aldonate relationship: is_conjugate_base_of CHEBI:71671 ! aldonate(1-) [Term] id: CHEBI:22313 name: alkaline earth metal atom namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth metal" RELATED [ChEBI] synonym: "alkaline earth metals" EXACT IUPAC_NAME [IUPAC] synonym: "alkaline-earth metal" RELATED [ChEBI] synonym: "alkaline-earth metals" RELATED [ChEBI] synonym: "Erdalkalimetall" RELATED [ChEBI] synonym: "Erdalkalimetalle" RELATED [ChEBI] synonym: "metal alcalino-terreux" RELATED [ChEBI] synonym: "metal alcalinoterreo" RELATED [ChEBI] synonym: "metales alcalinoterreos" RELATED [ChEBI] synonym: "metaux alcalino-terreux" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom is_a: CHEBI:33521 ! metal atom is_a: CHEBI:33559 ! s-block element atom [Term] id: CHEBI:22314 name: alkali metal atom namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal" RELATED [ChEBI] synonym: "alkali metals" EXACT IUPAC_NAME [IUPAC] synonym: "Alkalimetall" RELATED [ChEBI] synonym: "Alkalimetalle" RELATED [ChEBI] synonym: "metal alcalin" RELATED [ChEBI] synonym: "metal alcalino" RELATED [ChEBI] synonym: "metales alcalinos" RELATED [ChEBI] synonym: "metaux alcalins" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom is_a: CHEBI:33521 ! metal atom is_a: CHEBI:33559 ! s-block element atom [Term] id: CHEBI:22323 name: alkyl group namespace: chebi_ontology def: "A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom." [] subset: 3_STAR synonym: "alkyl group" EXACT IUPAC_NAME [IUPAC] synonym: "alkyl groups" EXACT IUPAC_NAME [IUPAC] synonym: "groupe alkyle" RELATED [IUPAC] synonym: "grupo alquilo" RELATED [IUPAC] synonym: "grupos alquilo" RELATED [IUPAC] is_a: CHEBI:33248 ! hydrocarbyl group relationship: is_substituent_group_from CHEBI:18310 ! alkane [Term] id: CHEBI:22324 name: alkyl phosphate namespace: chebi_ontology subset: 3_STAR synonym: "alkyl phosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester [Term] id: CHEBI:22331 name: alkylamines namespace: chebi_ontology def: "Any amine formally derived from ammonia by replacing one, two or three hydrogen atoms by alkyl groups." [] subset: 3_STAR is_a: CHEBI:32952 ! amine [Term] id: CHEBI:22333 name: alkylating agent namespace: chebi_ontology def: "Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases." [] subset: 3_STAR is_a: CHEBI:25435 ! mutagen [Term] id: CHEBI:22479 name: amino cyclitol glycoside namespace: chebi_ontology subset: 3_STAR synonym: "amino cyclitol glycoside" EXACT [ChEBI] synonym: "amino cyclitol glycosides" RELATED [ChEBI] is_a: CHEBI:23451 ! cyclitol is_a: CHEBI:24400 ! glycoside [Term] id: CHEBI:22480 name: amino disaccharide namespace: chebi_ontology def: "A disaccharide derivative that is a disaccharide having one or more substituted or unsubstituted amino groups in place of hydroxy groups at unspecified positions." [] subset: 3_STAR synonym: "amino-disaccharides" RELATED [ChEBI] is_a: CHEBI:22483 ! amino oligosaccharide is_a: CHEBI:63353 ! disaccharide derivative [Term] id: CHEBI:22483 name: amino oligosaccharide namespace: chebi_ontology subset: 3_STAR synonym: "amino oligosaccharides" RELATED [ChEBI] is_a: CHEBI:63563 ! oligosaccharide derivative [Term] id: CHEBI:22494 name: aminobenzoate namespace: chebi_ontology subset: 3_STAR synonym: "aminobenzoates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates [Term] id: CHEBI:22495 name: aminobenzoic acid namespace: chebi_ontology subset: 3_STAR synonym: "Aminobenzoesaeure" RELATED [ChEBI] synonym: "aminobenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C7H7NO2" RELATED FORMULA [ChEBI] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:33856 ! aromatic amino acid [Term] id: CHEBI:22507 name: aminoglycoside antibiotic namespace: chebi_ontology subset: 3_STAR synonym: "aminoglycoside antibiotics" RELATED [ChEBI] is_a: CHEBI:23007 ! carbohydrate-containing antibiotic is_a: CHEBI:47779 ! aminoglycoside [Term] id: CHEBI:22527 name: aminopurine namespace: chebi_ontology def: "Any purine having at least one amino substituent." [] subset: 3_STAR synonym: "aminopurines" RELATED [ChEBI] is_a: CHEBI:26401 ! purines [Term] id: CHEBI:22529 name: amino sugar phosphate namespace: chebi_ontology subset: 3_STAR synonym: "amino sugar phosphate" EXACT [ChEBI] synonym: "amino sugar phosphates" RELATED [ChEBI] is_a: CHEBI:28963 ! amino sugar is_a: CHEBI:33447 ! phospho sugar [Term] id: CHEBI:22562 name: anilines namespace: chebi_ontology def: "Any aromatic amine that is benzene carrying at least one amino substituent and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33860 ! aromatic amine [Term] id: CHEBI:22563 name: anion namespace: chebi_ontology def: "A monoatomic or polyatomic species having one or more elementary charges of the electron." [] subset: 3_STAR synonym: "Anion" EXACT [ChEBI] synonym: "anion" EXACT IUPAC_NAME [IUPAC] synonym: "anion" EXACT [ChEBI] synonym: "Anionen" RELATED [ChEBI] synonym: "aniones" RELATED [ChEBI] synonym: "anions" RELATED [IUPAC] is_a: CHEBI:24870 ! ion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22565 name: ansamycin namespace: chebi_ontology def: "A class of macrocyclic lactams that consist of an aromatic (phenyl or naphthyl) or quinonoid (benzoquinone or naphthoquinone) moiety that is bridged by an aliphatic chain." [] subset: 3_STAR xref: Wikipedia:Ansamycin is_a: CHEBI:24995 ! lactam is_a: CHEBI:26188 ! polyketide is_a: CHEBI:51026 ! macrocycle [Term] id: CHEBI:22586 name: antioxidant namespace: chebi_ontology def: "A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides." [] subset: 3_STAR synonym: "antioxidants" RELATED [ChEBI] synonym: "antioxydant" RELATED [ChEBI] synonym: "antoxidant" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:22587 name: antiviral agent namespace: chebi_ontology def: "A substance that destroys or inhibits replication of viruses." [] subset: 3_STAR synonym: "anti-viral agent" RELATED [ChEBI] synonym: "anti-viral agents" RELATED [ChEBI] synonym: "antiviral" RELATED [ChEBI] synonym: "antiviral agents" RELATED [ChEBI] synonym: "antivirals" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:22599 name: arabinose namespace: chebi_ontology alt_id: CHEBI:33943 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "Ara" RELATED [JCBN] synonym: "arabino-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "arabinose" EXACT [ChEBI] synonym: "arabinose" EXACT IUPAC_NAME [IUPAC] synonym: "C5H10O5" RELATED FORMULA [ChEBI] xref: CAS:147-81-9 "ChemIDplus" xref: colombos:ARABINOSE xref: HMDB:HMDB29942 xref: Wikipedia:Arabinose is_a: CHEBI:33916 ! aldopentose relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:22632 name: arsenic molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "arsenic compounds" RELATED [ChEBI] synonym: "arsenic molecular entities" RELATED [ChEBI] synonym: "arsenic molecular entity" EXACT [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:27563 ! arsenic atom [Term] id: CHEBI:22633 name: arsenite ion namespace: chebi_ontology def: "An arsenic oxoanion resulting from the removal of one or more protons from arsenous acid." [] subset: 3_STAR synonym: "arsenite anions" RELATED [ChEBI] synonym: "arsenite ions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:35776 ! arsenic oxoanion [Term] id: CHEBI:22645 name: arenecarboxamide namespace: chebi_ontology def: "A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system." [] subset: 3_STAR synonym: "arenecarboxamides" RELATED [ChEBI] is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:62733 ! aromatic amide [Term] id: CHEBI:22651 name: ascorbate namespace: chebi_ontology def: "A ketoaldonate that is the conjugate base of ascorbic acid." [] subset: 3_STAR is_a: CHEBI:24961 ! ketoaldonate relationship: has_role CHEBI:22586 ! antioxidant relationship: is_conjugate_base_of CHEBI:22652 ! ascorbic acid [Term] id: CHEBI:22652 name: ascorbic acid namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24963 ! ketoaldonic acid relationship: is_conjugate_acid_of CHEBI:22651 ! ascorbate [Term] id: CHEBI:22653 name: asparagine namespace: chebi_ontology def: "An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "132.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.11800" RELATED MASS [ChEBI] synonym: "2,4-diamino-4-oxobutanoic acid" RELATED [IUPAC] synonym: "2-amino-3-carbamoylpropanoic acid" RELATED [JCBN] synonym: "ASN" RELATED [ChEBI] synonym: "Asn" RELATED [ChEBI] synonym: "Asparagin" RELATED [ChEBI] synonym: "asparagina" RELATED [ChEBI] synonym: "asparagine" EXACT IUPAC_NAME [IUPAC] synonym: "C4H8N2O3" RELATED FORMULA [ChEBI] synonym: "DCXYFEDJOCDNAF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "DL-Asparagine" RELATED [KEGG_COMPOUND] synonym: "Hasp" RELATED [IUPAC] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)" RELATED InChI [ChEBI] synonym: "N" RELATED [ChEBI] synonym: "NC(CC(N)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1723525 "Beilstein" xref: CAS:3130-87-8 "ChemIDplus" xref: Gmelin:279043 "Gmelin" xref: KEGG:C16438 xref: PMID:22264337 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: Reaxys:1723525 "Reaxys" xref: Wikipedia:Asparagine is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:35735 ! dicarboxylic acid monoamide relationship: has_part CHEBI:50330 ! 2-amino-2-oxoethyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32660 ! asparaginate relationship: is_conjugate_base_of CHEBI:32661 ! asparaginium [Term] id: CHEBI:22658 name: aspartate family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is L-aspartic acid or any of the essential amino acids biosynthesised from it (asparagine, lysine, methionine, threonine and isoleucine). A closed class." [] subset: 3_STAR synonym: "aspartate family amino acids" RELATED [ChEBI] synonym: "aspartic acid family amino acid" RELATED [ChEBI] synonym: "aspartic acid family amino acids" RELATED [ChEBI] synonym: "oxaloacetate family amino acid" RELATED [ChEBI] synonym: "oxaloacetate family amino acids" RELATED [ChEBI] synonym: "oxaloacetate/aspartate family amino acid" RELATED [ChEBI] synonym: "oxaloacetate/aspartate family amino acids" RELATED [ChEBI] xref: PMID:4386082 "Europe PMC" xref: PMID:4394351 "Europe PMC" xref: PMID:4721772 "Europe PMC" xref: PMID:5016260 "Europe PMC" xref: PMID:5074276 "Europe PMC" is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:22660 name: aspartic acid namespace: chebi_ontology def: "An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent" [] subset: 3_STAR synonym: "(+-)-Aspartic acid" RELATED [ChemIDplus] synonym: "(R,S)-Aspartic acid" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "133.038" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "133.10272" RELATED MASS [ChEBI] synonym: "2-aminobutanedioic acid" RELATED [IUPAC] synonym: "Asp" RELATED [ChEBI] synonym: "Aspartic acid" EXACT [KEGG_COMPOUND] synonym: "aspartic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C4H7NO4" RELATED FORMULA [ChEBI] synonym: "CKLJMWTZIZZHCS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "D" RELATED [ChEBI] synonym: "DL-Aminosuccinic acid" RELATED [ChemIDplus] synonym: "DL-Asparagic acid" RELATED [ChemIDplus] synonym: "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)" RELATED InChI [ChEBI] synonym: "NC(CC(O)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:774618 "Beilstein" xref: CAS:617-45-8 "ChemIDplus" xref: Gmelin:185140 "Gmelin" xref: KEGG:C16433 xref: PMID:22264337 "Europe PMC" xref: Reaxys:774618 "Reaxys" xref: Wikipedia:Aspartic_acid is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:66873 ! C4-dicarboxylic acid relationship: has_part CHEBI:41402 ! carboxymethyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:35391 ! aspartate(1-) [Term] id: CHEBI:22676 name: auxin namespace: chebi_ontology def: "Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, \"to grow\")." [] subset: 3_STAR synonym: "auxins" RELATED [ChEBI] xref: Wikipedia:Auxin is_a: CHEBI:37848 ! plant hormone [Term] id: CHEBI:22695 name: base namespace: chebi_ontology def: "A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base)." [] subset: 3_STAR synonym: "Base" EXACT [ChEBI] synonym: "base" EXACT [ChEBI] synonym: "base" EXACT IUPAC_NAME [IUPAC] synonym: "Base1" RELATED [KEGG_COMPOUND] synonym: "Base2" RELATED [KEGG_COMPOUND] synonym: "Basen" RELATED [ChEBI] synonym: "bases" RELATED [ChEBI] synonym: "Nucleobase" RELATED [KEGG_COMPOUND] xref: KEGG:C00701 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:22702 name: benzamides namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22645 ! arenecarboxamide [Term] id: CHEBI:22712 name: benzenes namespace: chebi_ontology def: "Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound [Term] id: CHEBI:22718 name: benzoates namespace: chebi_ontology def: "A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid." [] subset: 3_STAR synonym: "benzoate anion" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] id: CHEBI:22723 name: benzoic acids namespace: chebi_ontology def: "Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33859 ! aromatic carboxylic acid [Term] id: CHEBI:22727 name: benzopyran namespace: chebi_ontology subset: 3_STAR synonym: "benzopyrans" RELATED [ChEBI] xref: Wikipedia:Benzopyran is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:22728 name: benzopyrrole namespace: chebi_ontology subset: 3_STAR synonym: "benzopyrroles" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38180 ! polycyclic heteroarene [Term] id: CHEBI:22744 name: benzyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "91.055" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "91.13048" RELATED MASS [ChEBI] synonym: "benzyl" EXACT IUPAC_NAME [IUPAC] synonym: "Bn" RELATED [ChEBI] synonym: "C6H5-CH2-" RELATED [IUPAC] synonym: "C7H7" RELATED FORMULA [ChEBI] synonym: "phenylalanine side-chain" RELATED [ChEBI] synonym: "phenylmethyl" RELATED [IUPAC] is_a: CHEBI:33452 ! benzylic group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:17578 ! toluene [Term] id: CHEBI:22823 name: beta-alanine derivative namespace: chebi_ontology subset: 1_STAR synonym: "beta-alanine derivatives" RELATED [ChEBI] is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:16958 ! beta-alanine [Term] id: CHEBI:22860 name: amino-acid betaine namespace: chebi_ontology def: "Any amino acid-derived zwitterion - such as glycine betaine (N,N,N-trimethylammonioacetate) - in which the ammonium nitrogen carries three methyl substituents." [] subset: 3_STAR synonym: "amino acid betaines" RELATED [ChEBI] synonym: "amino-acid betaines" RELATED [ChEBI] synonym: "betaines" RELATED [ChEBI] is_a: CHEBI:35284 ! ammonium betaine [Term] id: CHEBI:22868 name: bile salt namespace: chebi_ontology def: "A sodium salt of the conjugate of any bile acid with either glycine or taurine." [] subset: 3_STAR synonym: "Bile acid" RELATED [KEGG_COMPOUND] synonym: "bile salts" RELATED [ChEBI] xref: KEGG:C01558 is_a: CHEBI:36078 ! cholanoid is_a: CHEBI:38700 ! organic sodium salt [Term] id: CHEBI:22918 name: branched-chain amino acid namespace: chebi_ontology def: "Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents" [] subset: 3_STAR synonym: "branched chain amino acids" RELATED [ChEBI] is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63471 ! branched-chain amino-acid anion [Term] id: CHEBI:22925 name: bromide salt namespace: chebi_ontology subset: 3_STAR synonym: "bromide salts" RELATED [ChEBI] synonym: "bromides" RELATED [ChEBI] is_a: CHEBI:22928 ! bromine molecular entity is_a: CHEBI:33958 ! halide salt relationship: has_part CHEBI:15858 ! bromide [Term] id: CHEBI:22927 name: bromine atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "35Br" RELATED [IUPAC] synonym: "78.918" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "79.90400" RELATED MASS [ChEBI] synonym: "[Br]" RELATED SMILES [ChEBI] synonym: "Br" RELATED FORMULA [ChEBI] synonym: "Br" RELATED [ChEBI] synonym: "Brom" RELATED [ChEBI] synonym: "brome" RELATED [ChEBI] synonym: "bromine" EXACT IUPAC_NAME [IUPAC] synonym: "bromine" RELATED [ChEBI] synonym: "bromo" RELATED [ChEBI] synonym: "bromum" RELATED [ChEBI] synonym: "InChI=1S/Br" RELATED InChI [ChEBI] synonym: "WKBOTKDWSSQWDR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: WebElements:Br is_a: CHEBI:24473 ! halogen relationship: has_role CHEBI:27027 ! micronutrient [Term] id: CHEBI:22928 name: bromine molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "bromine compounds" RELATED [ChEBI] synonym: "bromine molecular entities" RELATED [ChEBI] synonym: "bromine molecular entity" EXACT [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity relationship: has_part CHEBI:22927 ! bromine atom [Term] id: CHEBI:22950 name: butan-4-olide namespace: chebi_ontology def: "Any gamma-lactone having the lactone moiety derived from 4-hydroxybutanoic acid." [] subset: 3_STAR synonym: "butan-4-olides" RELATED [ChEBI] synonym: "butanolide" RELATED [ChEBI] is_a: CHEBI:37581 ! gamma-lactone is_a: CHEBI:47016 ! tetrahydrofuranone [Term] id: CHEBI:22958 name: butenedioic acid namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "116.011" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "116.07216" RELATED MASS [ChEBI] synonym: "2-butenedioic acid" RELATED [ChEBI] synonym: "[H]C(=C([H])C(O)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "but-2-enedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C4H4O4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)" RELATED InChI [ChEBI] synonym: "VZCYOOQTPOCHFL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:8132074 "Beilstein" is_a: CHEBI:66873 ! C4-dicarboxylic acid relationship: is_conjugate_acid_of CHEBI:37155 ! hydrogen butenedioate [Term] id: CHEBI:22977 name: cadmium atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "112.41100" RELATED MASS [ChEBI] synonym: "113.903" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "48Cd" RELATED [IUPAC] synonym: "[Cd]" RELATED SMILES [ChEBI] synonym: "BDOSMKKIYDKNTQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "cadmio" RELATED [ChEBI] synonym: "cadmium" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium" RELATED [ChEBI] synonym: "Cd" RELATED [IUPAC] synonym: "Cd" RELATED FORMULA [ChEBI] synonym: "InChI=1S/Cd" RELATED InChI [ChEBI] synonym: "Kadmium" RELATED [NIST_Chemistry_WebBook] xref: CAS:7440-43-9 "ChemIDplus" xref: KEGG:C01413 "ChEBI" xref: WebElements:Cd is_a: CHEBI:33340 ! zinc group element atom [Term] id: CHEBI:22978 name: cadmium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "cadmium compounds" RELATED [ChEBI] synonym: "cadmium molecular entities" RELATED [ChEBI] is_a: CHEBI:33673 ! zinc group molecular entity relationship: has_part CHEBI:22977 ! cadmium atom [Term] id: CHEBI:22984 name: calcium atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "20Ca" RELATED [IUPAC] synonym: "39.963" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "40.07800" RELATED MASS [ChEBI] synonym: "[Ca]" RELATED SMILES [ChEBI] synonym: "Ca" RELATED [IUPAC] synonym: "Ca" RELATED FORMULA [ChEBI] synonym: "calcio" RELATED [ChEBI] synonym: "Calcium" RELATED [KEGG_COMPOUND] synonym: "calcium" EXACT IUPAC_NAME [IUPAC] synonym: "calcium" RELATED [ChEBI] synonym: "InChI=1S/Ca" RELATED InChI [ChEBI] synonym: "Kalzium" RELATED [ChEBI] synonym: "OYPRJOBELJOOCE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7440-70-2 "ChemIDplus" xref: DrugBank:DB01373 xref: KEGG:C00076 "ChEBI" xref: WebElements:Ca is_a: CHEBI:22313 ! alkaline earth metal atom relationship: has_role CHEBI:33937 ! macronutrient [Term] id: CHEBI:22985 name: calcium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "calcium compounds" RELATED [ChEBI] synonym: "calcium molecular entities" RELATED [ChEBI] synonym: "calcium molecular entity" EXACT [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:22984 ! calcium atom [Term] id: CHEBI:23003 name: carbamate ester namespace: chebi_ontology def: "Any ester of carbamic acid or its N-substituted derivatives." [] subset: 3_STAR synonym: "carbamate esters" RELATED [ChEBI] synonym: "carbamates" RELATED [ChEBI] xref: Wikipedia:Carbamate is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:28616 ! carbamic acid [Term] id: CHEBI:23004 name: carbamoyl group namespace: chebi_ontology def: "The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid." [] subset: 3_STAR synonym: "-C(O)NH2" RELATED [ChEBI] synonym: "-CONH2" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "44.014" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "44.03272" RELATED MASS [ChEBI] synonym: "aminocarbonyl" RELATED [IUPAC] synonym: "carbamoyl" EXACT IUPAC_NAME [IUPAC] synonym: "carbamyl" RELATED [ChEBI] synonym: "carbamyl group" RELATED [ChEBI] synonym: "carboxamide" RELATED [IUPAC] synonym: "CH2NO" RELATED FORMULA [ChEBI] xref: PMID:24168430 "Europe PMC" is_a: CHEBI:27207 ! univalent carboacyl group relationship: is_substituent_group_from CHEBI:28616 ! carbamic acid [Term] id: CHEBI:23007 name: carbohydrate-containing antibiotic namespace: chebi_ontology def: "Any carbohydrate derivative that exhibits antibiotic activity." [] subset: 3_STAR is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:23014 name: carbon oxide namespace: chebi_ontology subset: 3_STAR synonym: "carbon oxides" RELATED [ChEBI] synonym: "oxides of carbon" RELATED [ChEBI] is_a: CHEBI:25701 ! organic oxide is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:23018 name: EC 4.2.1.1 (carbonic anhydrase) inhibitor namespace: chebi_ontology def: "An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H(+) ions by the proximal kidney tubule." [] subset: 3_STAR synonym: "anhydrase inhibitor" RELATED [ChEBI] synonym: "anhydrase inhibitors" RELATED [ChEBI] synonym: "carbonate anhydrase inhibitor" RELATED [ChEBI] synonym: "carbonate anhydrase inhibitors" RELATED [ChEBI] synonym: "carbonate dehydratase inhibitor" RELATED [ChEBI] synonym: "carbonate dehydratase inhibitors" RELATED [ChEBI] synonym: "carbonate hydro-lyase (carbon-dioxide-forming) inhibitor" RELATED [ChEBI] synonym: "carbonate hydro-lyase (carbon-dioxide-forming) inhibitors" RELATED [ChEBI] synonym: "carbonate hydro-lyase inhibitor" RELATED [ChEBI] synonym: "carbonate hydro-lyase inhibitors" RELATED [ChEBI] synonym: "carbonic acid anhydrase inhibitor" RELATED [ChEBI] synonym: "carbonic acid anhydrase inhibitors" RELATED [ChEBI] synonym: "carbonic anhydrase (EC 4.2.1.1) inhibitor" RELATED [ChEBI] synonym: "carbonic anhydrase (EC 4.2.1.1) inhibitors" RELATED [ChEBI] synonym: "carbonic anhydrase A inhibitor" RELATED [ChEBI] synonym: "carbonic anhydrase A inhibitors" RELATED [ChEBI] synonym: "carbonic anhydrase inhibitor" RELATED [ChEBI] synonym: "carbonic anhydrase inhibitors" RELATED [ChEBI] synonym: "carboxyanhydrase inhibitor" RELATED [ChEBI] synonym: "carboxyanhydrase inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.1 (carbonic anhydrase) inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.1 inhibitor" RELATED [ChEBI] synonym: "EC 4.2.1.1 inhibitors" RELATED [ChEBI] xref: Wikipedia:Carbonic_anhydrase_inhibitor is_a: CHEBI:76907 ! EC 4.2.1.* (hydro-lyases) inhibitor [Term] id: CHEBI:23019 name: carbonyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "27.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "28.01010" RELATED MASS [ChEBI] synonym: ">C=O" RELATED [IUPAC] synonym: "carbonyl" EXACT IUPAC_NAME [IUPAC] synonym: "carbonyl group" EXACT [ChEBI] synonym: "carbonyl group" EXACT [UniProt] synonym: "CO" RELATED FORMULA [ChEBI] is_a: CHEBI:51422 ! organodiyl group [Term] id: CHEBI:23066 name: cephalosporin namespace: chebi_ontology alt_id: CHEBI:3538 def: "A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring. Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "182.999" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "183.18500" RELATED MASS [ChEBI] synonym: "[H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O" RELATED SMILES [ChEBI] synonym: "C7H5NO3SR2" RELATED FORMULA [ChEBI] synonym: "cephalosphorin" RELATED [ChEBI] synonym: "cephalosphorins" RELATED [ChEBI] synonym: "Cephalosporin" EXACT [KEGG_COMPOUND] synonym: "cephalosporins" RELATED [ChEBI] xref: KEGG:C00875 xref: PMID:10069359 "Europe PMC" xref: PMID:11936371 "Europe PMC" xref: PMID:12833570 "Europe PMC" xref: PMID:24269048 "Europe PMC" xref: PMID:3320614 "Europe PMC" xref: PMID:6762896 "Europe PMC" xref: PMID:8426246 "Europe PMC" xref: Wikipedia:Cephalosporin is_a: CHEBI:38311 ! cephem relationship: has_role CHEBI:88188 ! drug allergen [Term] id: CHEBI:23101 name: N,N'-diacetylchitobioses namespace: chebi_ontology def: "Any of the chitobioses acetylated on both amino nitrogens." [] subset: 3_STAR synonym: "C16H28N2O11" RELATED FORMULA [ChEBI] is_a: CHEBI:22480 ! amino disaccharide relationship: has_functional_parent CHEBI:50674 ! chitobioses [Term] id: CHEBI:23114 name: chloride salt namespace: chebi_ontology subset: 3_STAR synonym: "chloride salts" RELATED [ChEBI] synonym: "chlorides" RELATED [ChEBI] is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:33958 ! halide salt relationship: has_part CHEBI:17996 ! chloride [Term] id: CHEBI:23116 name: chlorine atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "17Cl" RELATED [IUPAC] synonym: "34.969" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "35.45270" RELATED MASS [ChEBI] synonym: "[Cl]" RELATED SMILES [ChEBI] synonym: "Chlor" RELATED [ChEBI] synonym: "chlore" RELATED [ChEBI] synonym: "chlorine" EXACT IUPAC_NAME [IUPAC] synonym: "chlorine" RELATED [ChEBI] synonym: "chlorum" RELATED [ChEBI] synonym: "Cl" RELATED [IUPAC] synonym: "Cl" RELATED FORMULA [ChEBI] synonym: "cloro" RELATED [ChEBI] synonym: "InChI=1S/Cl" RELATED InChI [ChEBI] synonym: "ZAMOUSCENKQFHK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: WebElements:Cl is_a: CHEBI:24473 ! halogen relationship: has_role CHEBI:27027 ! micronutrient [Term] id: CHEBI:23117 name: chlorine molecular entity namespace: chebi_ontology def: "A halogen molecular entity containing one or more atoms of chlorine." [] subset: 3_STAR is_a: CHEBI:24471 ! halogen molecular entity relationship: has_part CHEBI:23116 ! chlorine atom [Term] id: CHEBI:23123 name: chloroacetate namespace: chebi_ontology def: "A haloacetate(1-) resulting from the deprotonation of the carboxy group of chloroacetic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "92.974" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "93.48900" RELATED MASS [ChEBI] synonym: "[O-]C(=O)CCl" RELATED SMILES [ChEBI] synonym: "C2H2ClO2" RELATED FORMULA [ChEBI] synonym: "chloroacetate" EXACT [UniProt] synonym: "chloroacetate" EXACT IUPAC_NAME [IUPAC] synonym: "chloroacetate anion" RELATED [ChEBI] synonym: "chloroacetate(1-)" RELATED [ChEBI] synonym: "Chloroacetic acid ion(1-)" RELATED [ChEBI] synonym: "FOCAUTSVDIKZOP-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1" RELATED InChI [ChEBI] synonym: "mono-chloroacetate" RELATED [ChEBI] synonym: "monochloroacetate anion" RELATED [ChEBI] synonym: "monochloroacetic acid anion" RELATED [ChEBI] xref: CAS:14526-03-5 "ChemIDplus" xref: MetaCyc:CHLOROACETIC-ACID xref: Reaxys:1903575 "Reaxys" xref: UM-BBD_compID:c0007 "UM-BBD" is_a: CHEBI:85638 ! haloacetate(1-) relationship: is_conjugate_base_of CHEBI:27869 ! chloroacetic acid [Term] id: CHEBI:23132 name: chlorobenzenes namespace: chebi_ontology def: "Any organochlorine compound containing a benzene ring which is substituted by one or more chlorines." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:231935 name: glycerol 1-phosphate(2-) namespace: chebi_ontology def: "An organophosphate oxoanion that is the dianion of glycerol 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "169.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "170.05780" RELATED MASS [ChEBI] synonym: "2,3-dihydroxypropyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "AWUCVROLDVIAJX-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "C3H7O6P" RELATED FORMULA [ChEBI] synonym: "glycerol 1-phosphate" RELATED [UniProt] synonym: "glycerol 1-phosphate dianion" RELATED [ChEBI] synonym: "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2" RELATED InChI [ChEBI] synonym: "OCC(O)COP([O-])([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:1873731 "Beilstein" xref: Gmelin:602374 "Gmelin" xref: Reaxys:1873731 "Reaxys" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:14336 ! glycerol 1-phosphate [Term] id: CHEBI:23217 name: cholines namespace: chebi_ontology def: "A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof." [] subset: 3_STAR is_a: CHEBI:35267 ! quaternary ammonium ion [Term] id: CHEBI:23232 name: chromenes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38443 ! 1-benzopyran [Term] id: CHEBI:23240 name: chromophore namespace: chebi_ontology def: "The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized." [] subset: 3_STAR synonym: "chromophore" EXACT IUPAC_NAME [IUPAC] synonym: "chromophores" RELATED [ChEBI] xref: Wikipedia:Chromophore is_a: CHEBI:52215 ! photochemical role [Term] id: CHEBI:23336 name: cobalt cation namespace: chebi_ontology subset: 3_STAR synonym: "Co" RELATED FORMULA [ChEBI] synonym: "cobalt cation" EXACT [UniProt] synonym: "cobalt cation" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation [Term] id: CHEBI:23354 name: coenzyme namespace: chebi_ontology def: "A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons." [] subset: 3_STAR synonym: "coenzyme" EXACT IUPAC_NAME [IUPAC] synonym: "coenzymes" RELATED [ChEBI] is_a: CHEBI:23357 ! cofactor [Term] id: CHEBI:23357 name: cofactor namespace: chebi_ontology def: "An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group)." [] subset: 3_STAR synonym: "cofactor" EXACT [IUPAC] synonym: "cofactors" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Cofactor_(biochemistry) is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:23367 name: molecular entity namespace: chebi_ontology def: "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." [] subset: 3_STAR synonym: "entidad molecular" RELATED [IUPAC] synonym: "entidades moleculares" RELATED [IUPAC] synonym: "entite moleculaire" RELATED [IUPAC] synonym: "molecular entities" RELATED [IUPAC] synonym: "molecular entity" EXACT IUPAC_NAME [IUPAC] synonym: "molekulare Entitaet" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/pr.owl [Term] id: CHEBI:23377 name: copper molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "copper compounds" RELATED [ChEBI] synonym: "copper molecular entities" RELATED [ChEBI] synonym: "copper molecular entity" EXACT [ChEBI] is_a: CHEBI:33745 ! copper group molecular entity relationship: has_part CHEBI:28694 ! copper atom [Term] id: CHEBI:23378 name: copper cation namespace: chebi_ontology subset: 3_STAR synonym: "copper cation" EXACT IUPAC_NAME [IUPAC] synonym: "copper cations" RELATED [ChEBI] synonym: "Cu" RELATED FORMULA [ChEBI] synonym: "Cu cation" RELATED [UniProt] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:37404 ! elemental copper [Term] id: CHEBI:23403 name: coumarins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26004 ! phenylpropanoid is_a: CHEBI:38445 ! chromenone [Term] id: CHEBI:23414 name: copper(II) sulfate namespace: chebi_ontology def: "A metal sulfate compound having copper(2+) as the metal ion." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "158.881" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "159.60960" RELATED MASS [ChEBI] synonym: "[Cu++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "ARUVKPQLZAKDPS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "copper sulfate" RELATED [ChemIDplus] synonym: "copper(2+) sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Copper(II) sulfate" EXACT [KEGG_COMPOUND] synonym: "copper(II) sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "CuO4S" RELATED FORMULA [ChEBI] synonym: "Cupric sulfate" RELATED [ChemIDplus] synonym: "cupric sulfate anhydrous" RELATED [ChemIDplus] synonym: "CuSO4" RELATED [IUPAC] synonym: "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI] xref: CAS:7758-98-7 "KEGG COMPOUND" xref: colombos:CuSO4 xref: Gmelin:8294 "Gmelin" xref: KEGG:C18713 xref: PMID:10469300 "Europe PMC" xref: PMID:8566016 "Europe PMC" xref: Wikipedia:Copper(II)_sulfate is_a: CHEBI:51336 ! metal sulfate relationship: has_part CHEBI:29036 ! copper(2+) [Term] id: CHEBI:23423 name: pseudohalogen oxoacid namespace: chebi_ontology subset: 1_STAR synonym: "pseudohalogen oxoacid" EXACT [ChEBI] synonym: "pseudohalogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid [Term] id: CHEBI:23424 name: cyanides namespace: chebi_ontology def: "Salts and C-organyl derivatives of hydrogen cyanide, HC#N." [] subset: 3_STAR synonym: "cyanides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_parent_hydride CHEBI:18407 ! hydrogen cyanide [Term] id: CHEBI:23443 name: cyclic amide namespace: chebi_ontology alt_id: CHEBI:3990 subset: 3_STAR synonym: "cyclic amide" EXACT [ChEBI] synonym: "cyclic amides" RELATED [ChEBI] is_a: CHEBI:32988 ! amide [Term] id: CHEBI:23447 name: cyclic nucleotide namespace: chebi_ontology subset: 3_STAR synonym: "cyclic nucleotides" RELATED [ChEBI] is_a: CHEBI:36976 ! nucleotide [Term] id: CHEBI:23449 name: cyclic peptide namespace: chebi_ontology subset: 3_STAR synonym: "cyclic peptides" RELATED [ChEBI] synonym: "Cyclopeptid" RELATED [ChEBI] synonym: "peptide cyclique" RELATED [IUPAC] synonym: "peptido ciclico" RELATED [IUPAC] synonym: "Zyklopeptid" RELATED [ChEBI] is_a: CHEBI:16670 ! peptide [Term] id: CHEBI:23451 name: cyclitol namespace: chebi_ontology def: "A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom." [] subset: 3_STAR synonym: "cyclitols" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:23509 name: cysteine derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues." [] subset: 3_STAR synonym: "cysteine derivative" EXACT [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:15356 ! cysteine [Term] id: CHEBI:23521 name: cytidine 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "cytidine 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:23523 ! cytidine phosphate [Term] id: CHEBI:23523 name: cytidine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "cytidine phosphates" RELATED [ChEBI] is_a: CHEBI:23524 ! cytidines is_a: CHEBI:25608 ! nucleoside phosphate [Term] id: CHEBI:23524 name: cytidines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:39446 ! pyrimidine ribonucleosides relationship: has_functional_parent CHEBI:16040 ! cytosine [Term] id: CHEBI:23612 name: deoxyadenosine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "deoxyadenosine phosphates" RELATED [ChEBI] is_a: CHEBI:61297 ! adenyl deoxyribonucleotide [Term] id: CHEBI:23614 name: deoxycholate namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "391.285" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "391.56406" RELATED MASS [ChEBI] synonym: "3alpha,12alpha-dihydroxy-5beta-cholan-24-oate" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,12alpha-dihydroxy-5beta-cholanate" RELATED [ChEBI] synonym: "[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2" RELATED SMILES [ChEBI] synonym: "C24H39O4" RELATED FORMULA [ChEBI] synonym: "deoxycholate" EXACT [UniProt] synonym: "Desoxycholat" RELATED [ChEBI] synonym: "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "KXGVEGMKQFWNSR-LLQZFEROSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3629953 "Beilstein" xref: Gmelin:1774558 "Gmelin" is_a: CHEBI:131878 ! cholanic acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28834 ! deoxycholic acid [Term] id: CHEBI:23622 name: deoxygalactose namespace: chebi_ontology subset: 3_STAR synonym: "deoxygalactose" EXACT [ChEBI] synonym: "deoxygalactoses" RELATED [ChEBI] is_a: CHEBI:23628 ! deoxyhexose [Term] id: CHEBI:23628 name: deoxyhexose namespace: chebi_ontology def: "Any C6 deoxy sugar having at least one hydroxy group replaced by hydrogen." [] subset: 3_STAR synonym: "deoxyhexose" EXACT [ChEBI] synonym: "deoxyhexoses" RELATED [ChEBI] is_a: CHEBI:23639 ! deoxy sugar is_a: CHEBI:33917 ! aldohexose [Term] id: CHEBI:23634 name: deoxyaldopentose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "deoxyaldopentose phosphates" RELATED [ChEBI] synonym: "deoxypentose phosphate" RELATED [ChEBI] is_a: CHEBI:25900 ! aldopentose phosphate [Term] id: CHEBI:23636 name: deoxyribonucleoside namespace: chebi_ontology subset: 3_STAR synonym: "deoxyribonucleosides" RELATED [ChEBI] is_a: CHEBI:33838 ! nucleoside [Term] id: CHEBI:23639 name: deoxy sugar namespace: chebi_ontology def: "Any sugar having a hydroxy group replaced with a hydrogen atom." [] subset: 3_STAR synonym: "deoxy sugars" RELATED [ChEBI] synonym: "deoxysugar" RELATED [ChEBI] synonym: "deoxysugars" RELATED [ChEBI] is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:23652 name: dextrins namespace: chebi_ontology def: "Glucans produced by the hydrolysis of starch or glycogen. They are mixtures of polymers of D-glucose units linked by alpha(1->4) or alpha(1->6) glycosidic bonds." [] subset: 3_STAR is_a: CHEBI:37163 ! glucan [Term] id: CHEBI:23666 name: diamine namespace: chebi_ontology def: "Any polyamine that contains two amino groups." [] subset: 3_STAR synonym: "diamines" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:88061 ! polyamine [Term] id: CHEBI:23671 name: 2,6-diaminopimelate(2-) namespace: chebi_ontology def: "A dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "188.080" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "188.18126" RELATED MASS [ChEBI] synonym: "2,6-diaminoheptanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "C7H12N2O4" RELATED FORMULA [ChEBI] synonym: "diaminoheptanedioate" RELATED [ChEBI] synonym: "diaminopimelate" RELATED [ChEBI] synonym: "GMKMEZVLHJARHF-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p-2" RELATED InChI [ChEBI] synonym: "NC(CCCC(N)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: has_functional_parent CHEBI:36165 ! pimelate(2-) relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:23673 ! 2,6-diaminopimelic acid [Term] id: CHEBI:23673 name: 2,6-diaminopimelic acid namespace: chebi_ontology def: "The amino dicarboxylic acid that is heptanedioic acid with amino aubstituents at C-2 and C-6." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "190.095" RELATED MONOISOTOPIC_MASS [ChemIDplus] synonym: "190.19714" RELATED MASS [ChEBI] synonym: "2,6-diaminoheptanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,epsilon-diaminopimelic acid" RELATED [ChEBI] synonym: "C7H14N2O4" RELATED FORMULA [ChemIDplus] synonym: "Diaminopimelic acid" RELATED [ChemIDplus] synonym: "Dpm" RELATED [ChEBI] synonym: "GMKMEZVLHJARHF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)" RELATED InChI [ChEBI] synonym: "NC(CCCC(N)C(O)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1787719 "Beilstein" xref: CAS:583-93-7 "ChemIDplus" xref: DrugBank:DB03590 xref: PMID:10930630 "Europe PMC" xref: PMID:13984704 "Europe PMC" xref: PMID:23913026 "Europe PMC" xref: Reaxys:1787719 "Reaxys" is_a: CHEBI:36164 ! amino dicarboxylic acid relationship: has_functional_parent CHEBI:30531 ! pimelic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:23671 ! 2,6-diaminopimelate(2-) [Term] id: CHEBI:23677 name: diazole namespace: chebi_ontology def: "An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring." [] subset: 3_STAR synonym: "diazoles" RELATED [ChEBI] is_a: CHEBI:68452 ! azole [Term] id: CHEBI:23690 name: dicarboxylic acid amide namespace: chebi_ontology subset: 3_STAR synonym: "dicarboxylic acid amides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:23765 name: quinolone namespace: chebi_ontology subset: 3_STAR synonym: "quinolones" RELATED [ChEBI] is_a: CHEBI:26513 ! quinolines [Term] id: CHEBI:23775 name: dihydroxy-5beta-cholanic acid namespace: chebi_ontology def: "A hydroxy-5beta-cholanic acid carrying two hydroxy groups at unspecified positions." [] subset: 3_STAR synonym: "C24H40O4" RELATED FORMULA [ChEBI] synonym: "dihydroxy-5beta-cholanic acids" RELATED [ChEBI] is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid is_a: CHEBI:85184 ! dihydroxycholanic acid [Term] id: CHEBI:23778 name: dihydroxybenzoic acid namespace: chebi_ontology def: "Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives." [] subset: 3_STAR synonym: "dihydroxybenzoic acids" RELATED [ChEBI] is_a: CHEBI:24676 ! hydroxybenzoic acid relationship: is_conjugate_acid_of CHEBI:36084 ! dihydroxybenzoate [Term] id: CHEBI:237958 name: (\{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate namespace: chebi_ontology subset: 2_STAR is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate is_a: CHEBI:37096 ! adenosine 5'-phosphate relationship: has_role CHEBI:50733 ! nutraceutical relationship: is_conjugate_acid_of CHEBI:57299 ! ATP(3-) [Term] id: CHEBI:23824 name: diol namespace: chebi_ontology def: "A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols." [] subset: 3_STAR synonym: "diols" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Diol is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:23843 name: disaccharide phosphate namespace: chebi_ontology subset: 3_STAR synonym: "disaccharide phosphates" RELATED [ChEBI] is_a: CHEBI:26816 ! carbohydrate phosphate is_a: CHEBI:63353 ! disaccharide derivative [Term] id: CHEBI:23888 name: drug namespace: chebi_ontology def: "Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances." [] subset: 3_STAR synonym: "drugs" RELATED [ChEBI] synonym: "medicine" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:23905 name: monoatomic anion namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:24867 ! monoatomic ion [Term] id: CHEBI:23906 name: monoatomic cation namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic cations" RELATED [ChEBI] is_a: CHEBI:24867 ! monoatomic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:23924 name: enzyme inhibitor namespace: chebi_ontology def: "A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction." [] subset: 3_STAR synonym: "enzyme inhibitor" EXACT IUPAC_NAME [IUPAC] synonym: "enzyme inhibitors" RELATED [ChEBI] synonym: "inhibidor enzimatico" RELATED [ChEBI] synonym: "inhibidores enzimaticos" RELATED [ChEBI] synonym: "inhibiteur enzymatique" RELATED [ChEBI] synonym: "inhibiteurs enzymatiques" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:23953 name: erythromycins namespace: chebi_ontology subset: 1_STAR synonym: "erythromycins" EXACT [ChEBI] is_a: CHEBI:25105 ! macrolide antibiotic relationship: has_functional_parent CHEBI:23955 ! erythronolide [Term] id: CHEBI:23955 name: erythronolide namespace: chebi_ontology subset: 1_STAR synonym: "erythronolides" RELATED [ChEBI] is_a: CHEBI:25106 ! macrolide relationship: has_role CHEBI:25212 ! metabolite [Term] id: CHEBI:23965 name: estradiol namespace: chebi_ontology alt_id: CHEBI:42364 def: "A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "272.178" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "272.38196" RELATED MASS [ChEBI] synonym: "[H][C@]12CC[C@]3(C)C(O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21" RELATED SMILES [ChEBI] synonym: "C18H24O2" RELATED FORMULA [ChEBI] synonym: "estra-1,3,5(10)-triene-3,17-diol" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17?,18+/m1/s1" RELATED InChI [ChEBI] synonym: "oestradiol" RELATED [ChEBI] synonym: "VOXZDWNPVJITMN-WKUFJEKOSA-N" RELATED InChIKey [ChEBI] xref: colombos:ESTRADIOL xref: PMID:10696569 "Europe PMC" xref: PMID:24084694 "Europe PMC" xref: Wikipedia:Estradiol is_a: CHEBI:36834 ! 3-hydroxy steroid is_a: CHEBI:36838 ! 17-hydroxy steroid relationship: has_parent_hydride CHEBI:23966 ! estrane relationship: has_role CHEBI:50114 ! estrogen relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:23966 name: estrane namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "246.235" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "246.43080" RELATED MASS [ChEBI] synonym: "[H][C@]12CCCCC1CC[C@]1([H])[C@]2([H])CC[C@]2(C)CCC[C@@]12[H]" RELATED SMILES [ChEBI] synonym: "C18H30" RELATED FORMULA [ChEBI] synonym: "estrane" EXACT IUPAC_NAME [IUPAC] synonym: "GRXPVLPQNMUNNX-MHJRRCNVSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1" RELATED InChI [ChEBI] synonym: "Oestran" RELATED [ChEBI] synonym: "oestrane" RELATED [JCBN] xref: Beilstein:3125721 "Beilstein" xref: LIPID_MAPS_instance:LMST02010000 "LIPID MAPS" is_a: CHEBI:35508 ! steroid fundamental parent [Term] id: CHEBI:23982 name: ethanols namespace: chebi_ontology def: "Any primary alcohol based on an ethanol skeleton." [] subset: 3_STAR is_a: CHEBI:15734 ! primary alcohol [Term] id: CHEBI:24028 name: iron(3+) chelator namespace: chebi_ontology subset: 1_STAR synonym: "ferric chelator" RELATED [ChEBI] synonym: "ferric chelators" RELATED [ChEBI] synonym: "iron(III) chelator" RELATED [ChEBI] is_a: CHEBI:38157 ! iron chelator [Term] id: CHEBI:24043 name: flavones namespace: chebi_ontology def: "A member of the class of flavonoid with a 2-aryl-1-benzopyran-4-one (2-arylchromen-4-one) skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-aryl-1-benzopyran-4-one" RELATED [ChEBI] synonym: "2-aryl-1-benzopyran-4-ones" RELATED [ChEBI] synonym: "2-arylchromen-4-one" RELATED [ChEBI] synonym: "2-arylchromen-4-ones" RELATED [ChEBI] synonym: "[*]c1c([*])c([*])c(c([*])c1[*])-c1oc2c([*])c([*])c([*])c([*])c2c(=O)c1[*]" RELATED SMILES [ChEBI] synonym: "a flavone" RELATED [UniProt] xref: MetaCyc:Flavones xref: Wikipedia:Flavone is_a: CHEBI:47916 ! flavonoid [Term] id: CHEBI:24061 name: fluorine atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "18.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "18.99840" RELATED MASS [ChEBI] synonym: "9F" RELATED [IUPAC] synonym: "[F]" RELATED SMILES [ChEBI] synonym: "F" RELATED [IUPAC] synonym: "F" RELATED FORMULA [ChEBI] synonym: "Fluor" RELATED [ChemIDplus] synonym: "fluor" RELATED [ChEBI] synonym: "fluorine" EXACT IUPAC_NAME [IUPAC] synonym: "fluorine" RELATED [ChEBI] synonym: "fluorum" RELATED [ChEBI] synonym: "InChI=1S/F" RELATED InChI [ChEBI] synonym: "YCKRFDGAMUMZLT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7782-41-4 "ChemIDplus" xref: WebElements:F is_a: CHEBI:24473 ! halogen relationship: has_role CHEBI:27027 ! micronutrient [Term] id: CHEBI:24062 name: fluorine molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "fluorine compounds" RELATED [ChEBI] synonym: "fluorine molecular entities" RELATED [ChEBI] synonym: "fluorine molecular entity" EXACT [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity relationship: has_part CHEBI:24061 ! fluorine atom [Term] id: CHEBI:24112 name: fructuronate namespace: chebi_ontology subset: 3_STAR synonym: "C6H9O7" RELATED FORMULA [ChEBI] synonym: "fructuronate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33901 ! fructuronates relationship: is_conjugate_base_of CHEBI:24113 ! fructuronic acid [Term] id: CHEBI:24113 name: fructuronic acid namespace: chebi_ontology subset: 3_STAR synonym: "C6H10O7" RELATED FORMULA [ChEBI] synonym: "fructuronic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33883 ! fructuronic acids relationship: is_conjugate_acid_of CHEBI:24112 ! fructuronate [Term] id: CHEBI:24127 name: fungicide namespace: chebi_ontology def: "A substance used to destroy fungal pests." [] subset: 3_STAR synonym: "fungicides" RELATED [ChEBI] is_a: CHEBI:25944 ! pesticide is_a: CHEBI:35718 ! antifungal agent [Term] id: CHEBI:24129 name: furans namespace: chebi_ontology def: "Compounds containing at least one furan ring." [] subset: 3_STAR synonym: "oxacyclopenta-2,4-dienes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:24154 name: galactosamine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "galactosamine phosphate" EXACT [ChEBI] synonym: "galactosamine phosphates" RELATED [ChEBI] is_a: CHEBI:24584 ! hexosamine phosphate [Term] id: CHEBI:24156 name: galactosamine namespace: chebi_ontology subset: 3_STAR synonym: "galactosamines" RELATED [ChEBI] is_a: CHEBI:24586 ! hexosamine [Term] id: CHEBI:24175 name: galacturonate namespace: chebi_ontology subset: 3_STAR synonym: "C6H9O7" RELATED FORMULA [ChEBI] is_a: CHEBI:33812 ! galacturonates relationship: is_conjugate_base_of CHEBI:33830 ! galacturonic acid [Term] id: CHEBI:24261 name: glucocorticoid namespace: chebi_ontology def: "Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood." [] subset: 3_STAR synonym: "glucocorticoids" RELATED [ChEBI] is_a: CHEBI:36699 ! corticosteroid hormone [Term] id: CHEBI:24265 name: gluconate namespace: chebi_ontology subset: 3_STAR synonym: "C6H11O7" RELATED FORMULA [ChEBI] synonym: "gluconate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33804 ! gluconates relationship: is_conjugate_base_of CHEBI:24266 ! gluconic acid [Term] id: CHEBI:24266 name: gluconic acid namespace: chebi_ontology subset: 3_STAR synonym: "C6H11O7" RELATED FORMULA [ChEBI] xref: DrugBank:DB04304 is_a: CHEBI:33752 ! hexonic acid relationship: is_conjugate_acid_of CHEBI:24265 ! gluconate [Term] id: CHEBI:24268 name: glucooligosaccharide namespace: chebi_ontology def: "An oligosaccharide comprised of glucose residues." [] subset: 3_STAR synonym: "glucooligosaccharides" RELATED [ChEBI] is_a: CHEBI:50699 ! oligosaccharide [Term] id: CHEBI:24269 name: glucosamine phosphate namespace: chebi_ontology def: "A hexosamine phosphate having glucosamine as the amino sugar component." [] subset: 3_STAR synonym: "glucosamine phosphate" EXACT [ChEBI] synonym: "glucosamine phosphates" RELATED [ChEBI] is_a: CHEBI:24584 ! hexosamine phosphate relationship: has_functional_parent CHEBI:5417 ! glucosamine [Term] id: CHEBI:2427 name: Acid amide namespace: chebi_ontology subset: 2_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "43.006" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "43.025" RELATED MASS [KEGG_COMPOUND] synonym: "[*]NC([*])=O" RELATED SMILES [ChEBI] synonym: "Acid amide" EXACT [KEGG_COMPOUND] synonym: "CHNOR2" RELATED FORMULA [KEGG_COMPOUND] xref: colombos:MEDIUM.ACIDS_AMIDES\:+1 xref: KEGG:C01658 is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:24271 name: glucosamines namespace: chebi_ontology def: "Any hexosamine that is glucose in which at least one of the hydroxy groups has been replaced by an amino group." [] subset: 3_STAR is_a: CHEBI:24586 ! hexosamine [Term] id: CHEBI:24297 name: glucuronate namespace: chebi_ontology subset: 3_STAR synonym: "C6H9O7" RELATED FORMULA [ChEBI] synonym: "gluconuronate" RELATED [ChEBI] synonym: "glucuronate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33903 ! glucuronates relationship: is_conjugate_base_of CHEBI:24298 ! glucuronic acid [Term] id: CHEBI:24298 name: glucuronic acid namespace: chebi_ontology subset: 3_STAR synonym: "C6H10O7" RELATED FORMULA [ChEBI] synonym: "glucuronic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Glucuronsaeure" RELATED [ChEBI] synonym: "Glukuronsaeure" RELATED [ChEBI] xref: PMID:24617284 "Europe PMC" xref: PMID:24879518 "Europe PMC" is_a: CHEBI:33886 ! glucuronic acids relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:24297 ! glucuronate [Term] id: CHEBI:24318 name: glutamine family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class." [] subset: 3_STAR synonym: "glutamine family amino acids" RELATED [ChEBI] xref: PMID:20716061 "Europe PMC" is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:24337 name: glutathione derivative namespace: chebi_ontology def: "Any organonitrogen compound derived from the Glu-Cys-Gly tripeptide glutathione." [] subset: 3_STAR synonym: "glutathione derivatives" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_functional_parent CHEBI:16856 ! glutathione [Term] id: CHEBI:24347 name: glycerates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33763 ! trionate [Term] id: CHEBI:24373 name: glycine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of glycine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom." [] subset: 3_STAR is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:15428 ! glycine [Term] id: CHEBI:24400 name: glycoside namespace: chebi_ontology def: "A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively." [] subset: 3_STAR synonym: "glycosides" EXACT IUPAC_NAME [IUPAC] synonym: "glycosides" RELATED [ChEBI] synonym: "O-glycoside" RELATED [ChEBI] synonym: "O-glycosides" RELATED [ChEBI] is_a: CHEBI:63161 ! glycosyl compound [Term] id: CHEBI:24405 name: glycosylglucose namespace: chebi_ontology subset: 3_STAR synonym: "glycosylglucoses" RELATED [ChEBI] is_a: CHEBI:36233 ! disaccharide [Term] id: CHEBI:24407 name: glycosyl glycoside namespace: chebi_ontology def: "Any disaccharide in which the two monosaccharide components are connected by a glycosidic linkage between their anomeric centres." [] subset: 3_STAR synonym: "glycosyl glycoside" EXACT [ChEBI] synonym: "glycosyl glycosides" RELATED [ChEBI] is_a: CHEBI:36233 ! disaccharide [Term] id: CHEBI:24431 name: chemical entity namespace: chebi_ontology def: "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances." [] subset: 3_STAR synonym: "chemical entity" EXACT [UniProt] is_a: BFO:0000030 ! object property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24432 name: biological role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof within a biological context." [] subset: 3_STAR synonym: "biological function" RELATED [ChEBI] is_a: CHEBI:50906 ! role [Term] id: CHEBI:24433 name: group namespace: chebi_ontology def: "A defined linked collection of atoms or a single atom within a molecular entity." [] subset: 3_STAR synonym: "group" EXACT IUPAC_NAME [IUPAC] synonym: "groupe" RELATED [IUPAC] synonym: "grupo" RELATED [IUPAC] synonym: "grupos" RELATED [IUPAC] synonym: "Gruppe" RELATED [ChEBI] synonym: "Rest" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity relationship: has_part CHEBI:33250 ! atom [Term] id: CHEBI:24436 name: guanidines namespace: chebi_ontology def: "Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas." [] subset: 3_STAR is_a: CHEBI:35352 ! organonitrogen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24455 name: guanosine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "guanosine phosphates" RELATED [ChEBI] is_a: CHEBI:24458 ! guanosines is_a: CHEBI:61295 ! guanyl ribonucleotide [Term] id: CHEBI:24458 name: guanosines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26399 ! purine ribonucleoside relationship: has_functional_parent CHEBI:16235 ! guanine [Term] id: CHEBI:24471 name: halogen molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "halogen compounds" RELATED [ChEBI] synonym: "halogen molecular entities" RELATED [ChEBI] synonym: "halogen molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:24473 ! halogen [Term] id: CHEBI:24473 name: halogen namespace: chebi_ontology subset: 3_STAR synonym: "group 17 elements" RELATED [ChEBI] synonym: "group VII elements" RELATED [ChEBI] synonym: "halogen" EXACT IUPAC_NAME [IUPAC] synonym: "Halogene" RELATED [ChEBI] synonym: "halogene" RELATED [ChEBI] synonym: "halogenes" RELATED [ChEBI] synonym: "halogeno" RELATED [ChEBI] synonym: "halogenos" RELATED [ChEBI] synonym: "halogens" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:24527 name: herbicide namespace: chebi_ontology def: "A substance used to destroy plant pests." [] subset: 3_STAR synonym: "herbicides" RELATED [ChEBI] synonym: "Herbizid" RELATED [ChEBI] synonym: "Unkrautbekaempfungsmittel" RELATED [ChEBI] synonym: "Unkrautvertilgungsmittel" RELATED [ChEBI] synonym: "Wildkrautbekaempfungsmittel" RELATED [ChEBI] xref: Wikipedia:Herbicide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:24531 name: heterocyclic antibiotic namespace: chebi_ontology subset: 1_STAR synonym: "heterocyclic antibiotics" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:24532 name: organic heterocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of carbon and at least of one other element." [] subset: 3_STAR synonym: "organic heterocycle" RELATED [ChEBI] synonym: "organic heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:33832 ! organic cyclic compound is_a: CHEBI:5686 ! heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24533 name: heterodetic cyclic peptide namespace: chebi_ontology def: "A heterodetic cyclic peptide is a peptide consisting only of amino-acid residues, but in which the linkages forming the ring are not solely peptide bonds; one or more is an isopeptide, disulfide, ester, or other bond." [] subset: 3_STAR synonym: "heterodetic cyclic peptide" EXACT IUPAC_NAME [IUPAC] synonym: "heterodetic cyclic peptides" RELATED [ChEBI] synonym: "peptide cyclique heterodetique" RELATED [IUPAC] synonym: "peptido ciclico heterodetico" RELATED [IUPAC] is_a: CHEBI:23449 ! cyclic peptide [Term] id: CHEBI:24561 name: hexahydroxyflavone namespace: chebi_ontology def: "Members of the class of hydroxyflavone that is flavone substituted by 6 hydroxy groups." [] subset: 3_STAR synonym: "hexahydroxyflavones" RELATED [ChEBI] is_a: CHEBI:24698 ! hydroxyflavone [Term] id: CHEBI:24576 name: hexaric acid anion namespace: chebi_ontology subset: 3_STAR synonym: "hexarate" RELATED [ChEBI] synonym: "hexarates" RELATED [ChEBI] synonym: "hexaric acid anions" RELATED [ChEBI] is_a: CHEBI:22289 ! aldaric acid anion [Term] id: CHEBI:24577 name: hexaric acid namespace: chebi_ontology subset: 3_STAR synonym: "hexaric acid" EXACT [ChEBI] synonym: "hexaric acids" RELATED [ChEBI] is_a: CHEBI:22290 ! aldaric acid [Term] id: CHEBI:24583 name: hexitol namespace: chebi_ontology subset: 3_STAR synonym: "hexitol" EXACT [ChEBI] synonym: "hexitols" RELATED [ChEBI] is_a: CHEBI:17522 ! alditol [Term] id: CHEBI:24584 name: hexosamine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "hexosamine phosphate" EXACT [ChEBI] synonym: "hexosamine phosphates" RELATED [ChEBI] is_a: CHEBI:22529 ! amino sugar phosphate [Term] id: CHEBI:24586 name: hexosamine namespace: chebi_ontology def: "Any 6-carbon amino monosaccharide with at least one alcoholic hydroxy group replaced by an amino group." [] subset: 3_STAR synonym: "hexosamine" EXACT [ChEBI] synonym: "hexosamines" RELATED [ChEBI] is_a: CHEBI:60926 ! amino monosaccharide [Term] id: CHEBI:24591 name: hexuronate namespace: chebi_ontology alt_id: CHEBI:60934 def: "A uronate obtained via deprotonation of the carboxy group of any hexuronic acid." [] subset: 3_STAR synonym: "hexuronate" EXACT [ChEBI] synonym: "hexuronates" RELATED [ChEBI] synonym: "hexuronide" RELATED [ChEBI] synonym: "hexuronides" RELATED [ChEBI] is_a: CHEBI:33549 ! uronate relationship: is_conjugate_base_of CHEBI:24592 ! hexuronic acid [Term] id: CHEBI:24592 name: hexuronic acid namespace: chebi_ontology subset: 3_STAR synonym: "hexuronic acid" EXACT [ChEBI] synonym: "hexuronic acids" RELATED [ChEBI] is_a: CHEBI:27252 ! uronic acid relationship: is_conjugate_acid_of CHEBI:24591 ! hexuronate [Term] id: CHEBI:24610 name: homocysteines namespace: chebi_ontology subset: 1_STAR synonym: "homocysteines" EXACT [ChEBI] xref: KEGG:C05330 "ChEBI" is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] id: CHEBI:24621 name: hormone namespace: chebi_ontology def: "Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds." [] subset: 3_STAR synonym: "endocrine" RELATED [ChEBI] synonym: "hormones" RELATED [ChEBI] is_a: CHEBI:33280 ! molecular messenger is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:24628 name: imidazolidine-2,4-dione namespace: chebi_ontology def: "An imidazolidinone with oxo groups at position 2 and 4." [] subset: 3_STAR is_a: CHEBI:55370 ! imidazolidinone [Term] id: CHEBI:24632 name: hydrocarbon namespace: chebi_ontology def: "A compound consisting of carbon and hydrogen only." [] subset: 3_STAR synonym: "hidrocarburo" RELATED [IUPAC] synonym: "hidrocarburos" RELATED [IUPAC] synonym: "hydrocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocarbure" RELATED [IUPAC] synonym: "Kohlenwasserstoff" RELATED [ChEBI] synonym: "Kohlenwasserstoffe" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent [Term] id: CHEBI:24648 name: hydroxamic acid anion namespace: chebi_ontology def: "An oxoanion resulting from the removal of a proton from the hydroxy group of any hydroxamic acid." [] subset: 3_STAR synonym: "hydroxamate" RELATED [ChEBI] synonym: "hydroxamates" RELATED [ChEBI] synonym: "hydroxamic acid anions" RELATED [ChEBI] synonym: "hydroxamic anion" RELATED [ChEBI] synonym: "hydroxamic anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion relationship: is_conjugate_base_of CHEBI:24650 ! hydroxamic acid [Term] id: CHEBI:24650 name: hydroxamic acid namespace: chebi_ontology def: "A compound, RkE(=O)lNHOH, derived from an oxoacid RkE(=O)l(OH) (l =/= 0) by replacing -OH with -NHOH, and derivatives thereof. Specific examples of hydroxamic acids are preferably named as N-hydroxy amides." [] subset: 3_STAR synonym: "hydroxamic acids" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxamic acids" RELATED [ChEBI] synonym: "N-hydroxy amide" RELATED [ChEBI] synonym: "N-hydroxy amides" RELATED [ChEBI] synonym: "N-hydroxy-amide" RELATED [ChEBI] synonym: "N-hydroxy-amides" RELATED [ChEBI] synonym: "N-hydroxyamide" RELATED [ChEBI] synonym: "N-hydroxyamides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide relationship: is_conjugate_acid_of CHEBI:24648 ! hydroxamic acid anion [Term] id: CHEBI:24651 name: hydroxides namespace: chebi_ontology def: "Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-))." [] subset: 3_STAR is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:33608 ! hydrogen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_part CHEBI:43176 ! hydroxy group property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24663 name: hydroxy-5beta-cholanic acid namespace: chebi_ontology def: "Any member of the class of 5beta-cholanic acids carrying at least one hydroxy group at unspecified position." [] subset: 3_STAR synonym: "hydroxy-5beta-cholanic acids" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:36248 ! 5beta-cholanic acids relationship: has_functional_parent CHEBI:36238 ! 5beta-cholanic acid [Term] id: CHEBI:24669 name: hydroxy carboxylic acid namespace: chebi_ontology def: "Any carboxylic acid with at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxy carboxylic acids" RELATED [ChEBI] synonym: "hydroxycarboxylic acid" RELATED [ChEBI] synonym: "hydroxycarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:24675 name: hydroxybenzoate namespace: chebi_ontology def: "Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxybenzoates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:24676 ! hydroxybenzoic acid [Term] id: CHEBI:24676 name: hydroxybenzoic acid namespace: chebi_ontology alt_id: CHEBI:50778 def: "Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring." [] subset: 3_STAR synonym: "C7H6O3" RELATED FORMULA [ChEBI] synonym: "hydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxybenzoic acids" RELATED [ChEBI] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:33853 ! phenols relationship: has_functional_parent CHEBI:30746 ! benzoic acid relationship: is_conjugate_acid_of CHEBI:24675 ! hydroxybenzoate [Term] id: CHEBI:24698 name: hydroxyflavone namespace: chebi_ontology def: "Any flavone in which one or more ring hydrogens are replaced by hydroxy groups." [] subset: 3_STAR synonym: "hydroxyflavones" RELATED [ChEBI] is_a: CHEBI:24043 ! flavones is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:24712 name: hydroxymethyl group namespace: chebi_ontology subset: 3_STAR synonym: "-CH3-OH" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "31.018" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "31.03392" RELATED MASS [ChEBI] synonym: "CH3O" RELATED FORMULA [ChEBI] synonym: "hydroxymethyl" EXACT IUPAC_NAME [IUPAC] synonym: "serine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:17790 ! methanol [Term] id: CHEBI:24753 name: hygromycin namespace: chebi_ontology subset: 3_STAR synonym: "hygromycins" RELATED [ChEBI] is_a: CHEBI:22479 ! amino cyclitol glycoside is_a: CHEBI:22507 ! aminoglycoside antibiotic [Term] id: CHEBI:24757 name: hypochlorous acid namespace: chebi_ontology def: "A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "51.972" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "52.46004" RELATED MASS [ChEBI] synonym: "[ClOH]" RELATED [IUPAC] synonym: "Chlor(I)-saeure" RELATED [ChEBI] synonym: "chloranol" EXACT IUPAC_NAME [IUPAC] synonym: "ClHO" RELATED FORMULA [ChEBI] synonym: "HClO" RELATED [IUPAC] synonym: "HOCl" RELATED [IUPAC] synonym: "hydroxidochlorine" EXACT IUPAC_NAME [IUPAC] synonym: "hypochloric acid" RELATED [ChEBI] synonym: "hypochlorige Saeure" RELATED [ChEBI] synonym: "hypochlorous acid" EXACT IUPAC_NAME [IUPAC] synonym: "hypochlorous acid" EXACT [UniProt] synonym: "InChI=1S/ClHO/c1-2/h2H" RELATED InChI [ChEBI] synonym: "OCl" RELATED SMILES [ChEBI] synonym: "QWPPOHNGKGFGJK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7790-92-3 "NIST Chemistry WebBook" xref: colombos:HOCl xref: Gmelin:688 "Gmelin" xref: PMID:11640916 "Europe PMC" xref: PMID:12079432 "Europe PMC" xref: PMID:12215218 "Europe PMC" xref: PMID:15589368 "Europe PMC" xref: PMID:7487057 "Europe PMC" xref: PMID:8072005 "Europe PMC" is_a: CHEBI:26523 ! reactive oxygen species is_a: CHEBI:33426 ! chlorine oxoacid relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:76797 ! EC 2.5.1.18 (glutathione transferase) inhibitor relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:29222 ! hypochlorite [Term] id: CHEBI:24780 name: imidazoles namespace: chebi_ontology def: "A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton." [] subset: 3_STAR is_a: CHEBI:23677 ! diazole [Term] id: CHEBI:24782 name: imide namespace: chebi_ontology subset: 3_STAR synonym: "imide" EXACT [ChEBI] synonym: "imides" RELATED [ChEBI] is_a: CHEBI:33257 ! secondary amide [Term] id: CHEBI:24793 name: indoledione namespace: chebi_ontology subset: 3_STAR synonym: "C8H5NO2" RELATED FORMULA [ChEBI] is_a: CHEBI:24829 ! indolones [Term] id: CHEBI:24803 name: indole-3-acetic acids namespace: chebi_ontology def: "An indol-3-yl carboxylic acid in which the carboxylic acid specified is acetic acid." [] subset: 3_STAR is_a: CHEBI:24810 ! indol-3-yl carboxylic acid relationship: has_functional_parent CHEBI:15366 ! acetic acid [Term] id: CHEBI:24810 name: indol-3-yl carboxylic acid namespace: chebi_ontology def: "Any indolyl carboxylic acid carrying an indol-3-yl or substituted indol-3-yl group." [] subset: 3_STAR synonym: "indol-3-yl carboxylic acids" RELATED [ChEBI] is_a: CHEBI:46867 ! indolyl carboxylic acid [Term] id: CHEBI:24828 name: indoles namespace: chebi_ontology def: "Any compound containing an indole skeleton." [] subset: 3_STAR is_a: CHEBI:22728 ! benzopyrrole [Term] id: CHEBI:24829 name: indolones namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24828 ! indoles [Term] id: CHEBI:24833 name: oxoacid namespace: chebi_ontology def: "A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." [] subset: 3_STAR synonym: "oxacids" RELATED [ChEBI] synonym: "oxiacids" RELATED [ChEBI] synonym: "oxo acid" RELATED [ChEBI] synonym: "oxoacid" EXACT IUPAC_NAME [IUPAC] synonym: "oxoacids" EXACT IUPAC_NAME [IUPAC] synonym: "oxy-acids" RELATED [ChEBI] synonym: "oxyacids" RELATED [ChEBI] is_a: CHEBI:24651 ! hydroxides relationship: has_role CHEBI:39141 ! Bronsted acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24834 name: inorganic anion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:36914 ! inorganic ion [Term] id: CHEBI:24835 name: inorganic molecular entity namespace: chebi_ontology def: "A molecular entity that contains no carbon." [] subset: 3_STAR synonym: "anorganische Verbindungen" RELATED [ChEBI] synonym: "inorganic compounds" RELATED [ChEBI] synonym: "inorganic entity" RELATED [ChEBI] synonym: "inorganic molecular entities" RELATED [ChEBI] synonym: "inorganics" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:24836 name: inorganic oxide namespace: chebi_ontology subset: 3_STAR synonym: "inorganic oxides" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25741 ! oxide [Term] id: CHEBI:24837 name: inorganic peroxide namespace: chebi_ontology def: "Compounds of structure ROOR' in which R and R' are inorganic groups." [] subset: 3_STAR synonym: "inorganic peroxide" EXACT [ChEBI] synonym: "inorganic peroxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:25940 ! peroxides [Term] id: CHEBI:24839 name: inorganic salt namespace: chebi_ontology subset: 3_STAR synonym: "anorganisches Salz" RELATED [ChEBI] synonym: "inorganic salts" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:24866 ! salt [Term] id: CHEBI:24840 name: inorganic sulfate salt namespace: chebi_ontology subset: 3_STAR synonym: "inorganic sulfate salts" RELATED [ChEBI] synonym: "inorganic sulfates" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:35175 ! sulfate salt [Term] id: CHEBI:24844 name: inosines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26399 ! purine ribonucleoside [Term] id: CHEBI:24848 name: inositol namespace: chebi_ontology def: "Any cyclohexane-1,2,3,4,5,6-hexol." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,2,3,4,5,6-cyclohexanehexol" RELATED [ChEBI] synonym: "180.063" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "180.15588" RELATED MASS [ChEBI] synonym: "C6H12O6" RELATED FORMULA [ChEBI] synonym: "CDAISMWEOUEBRE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H" RELATED InChI [ChEBI] synonym: "inositol" EXACT [IUBMB] synonym: "inositols" EXACT IUPAC_NAME [IUPAC] synonym: "inositols" RELATED [ChEBI] synonym: "OC1C(O)C(O)C(O)C(O)C1O" RELATED SMILES [ChEBI] is_a: CHEBI:23451 ! cyclitol is_a: CHEBI:37206 ! hexol [Term] id: CHEBI:24852 name: insecticide namespace: chebi_ontology def: "Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects." [] subset: 3_STAR synonym: "insecticides" RELATED [ChEBI] xref: Wikipedia:Insecticide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:24853 name: intercalator namespace: chebi_ontology def: "A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages." [] subset: 3_STAR synonym: "agente intercalante" RELATED [ChEBI] synonym: "intercalating agent" RELATED [ChEBI] synonym: "intercalating agents" RELATED [ChEBI] synonym: "intercalating ligands" RELATED [ChEBI] synonym: "intercalators" RELATED [ChEBI] is_a: CHEBI:25435 ! mutagen [Term] id: CHEBI:24866 name: salt namespace: chebi_ontology def: "A salt is an assembly of cations and anions." [] subset: 3_STAR synonym: "ionic compound" RELATED [ChEBI] synonym: "ionic compounds" RELATED [ChEBI] synonym: "sal" RELATED [ChEBI] synonym: "sales" RELATED [ChEBI] synonym: "salt" EXACT IUPAC_NAME [IUPAC] synonym: "salts" RELATED [ChEBI] synonym: "Salz" RELATED [ChEBI] synonym: "Salze" RELATED [ChEBI] synonym: "sel" RELATED [ChEBI] synonym: "sels" RELATED [ChEBI] is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_part CHEBI:22563 ! anion relationship: has_part CHEBI:36916 ! cation [Term] id: CHEBI:24867 name: monoatomic ion namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:33238 ! monoatomic entity [Term] id: CHEBI:24868 name: organic salt namespace: chebi_ontology subset: 3_STAR synonym: "organic salts" RELATED [ChEBI] synonym: "organisches Salz" RELATED [ChEBI] is_a: CHEBI:24866 ! salt [Term] id: CHEBI:24869 name: ionophore namespace: chebi_ontology def: "A compound which can carry specific ions through membranes of cells or organelles." [] subset: 3_STAR synonym: "ionophore" EXACT IUPAC_NAME [IUPAC] synonym: "ionophores" RELATED [ChEBI] xref: Wikipedia:Ionophore is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:24870 name: ion namespace: chebi_ontology def: "A molecular entity having a net electric charge." [] subset: 3_STAR synonym: "Ion" EXACT [ChEBI] synonym: "ion" EXACT IUPAC_NAME [IUPAC] synonym: "ion" EXACT [ChEBI] synonym: "Ionen" RELATED [ChEBI] synonym: "iones" RELATED [ChEBI] synonym: "ions" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24873 name: iron molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "iron compounds" RELATED [ChEBI] synonym: "iron molecular entities" RELATED [ChEBI] synonym: "iron molecular entity" EXACT [ChEBI] is_a: CHEBI:33744 ! iron group molecular entity relationship: has_part CHEBI:18248 ! iron atom [Term] id: CHEBI:24874 name: iron ionophore namespace: chebi_ontology def: "Any ionophore capable of transportation of iron ions across membranes." [] subset: 3_STAR synonym: "iron ionophores" RELATED [ChEBI] is_a: CHEBI:24869 ! ionophore [Term] id: CHEBI:24875 name: iron cation namespace: chebi_ontology subset: 3_STAR synonym: "Fe" RELATED FORMULA [ChEBI] synonym: "Fe cation" RELATED [UniProt] synonym: "iron cation" EXACT IUPAC_NAME [IUPAC] synonym: "iron cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:82663 ! elemental iron [Term] id: CHEBI:24898 name: isoleucine namespace: chebi_ontology def: "A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration." [] subset: 3_STAR synonym: "Hile" RELATED [IUPAC] synonym: "isoleucine" EXACT IUPAC_NAME [IUPAC] synonym: "rel-(2R,3R)-2-amino-3-methylpentanoic acid" RELATED [IUPAC] xref: Beilstein:1721790 "Beilstein" xref: CAS:443-79-8 "ChemIDplus" xref: colombos:ISOLEUCINE xref: colombos:ISOLEUCINE\:+ xref: PMID:17190852 "Europe PMC" xref: Reaxys:1721790 "Reaxys" is_a: CHEBI:38264 ! 2-amino-3-methylpentanoic acid relationship: has_part CHEBI:45557 ! sec-butyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32612 ! isoleucinate relationship: is_conjugate_base_of CHEBI:32613 ! isoleucinium [Term] id: CHEBI:24913 name: isoprenoid namespace: chebi_ontology def: "Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives." [] subset: 3_STAR synonym: "isoprenoid" EXACT [ChEBI] synonym: "isoprenoids" EXACT IUPAC_NAME [IUPAC] synonym: "isoprenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR01 "LIPID MAPS" xref: PMID:12769708 "Europe PMC" xref: PMID:19219049 "Europe PMC" is_a: CHEBI:18059 ! lipid [Term] id: CHEBI:24951 name: kanamycins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22479 ! amino cyclitol glycoside is_a: CHEBI:22507 ! aminoglycoside antibiotic [Term] id: CHEBI:24960 name: ketoaldehyde namespace: chebi_ontology alt_id: CHEBI:6124 def: "Any compound that has an aldehydic and ketonic group in the same molecule." [] subset: 3_STAR synonym: "ketoaldehydes" RELATED [ChEBI] xref: KEGG:C01928 is_a: CHEBI:17087 ! ketone is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:24961 name: ketoaldonate namespace: chebi_ontology subset: 3_STAR synonym: "ketoaldonate" EXACT [ChEBI] synonym: "ketoaldonates" RELATED [ChEBI] is_a: CHEBI:33721 ! carbohydrate acid anion [Term] id: CHEBI:24963 name: ketoaldonic acid namespace: chebi_ontology def: "Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group." [] subset: 3_STAR synonym: "ketoaldonic acid" EXACT [ChEBI] synonym: "ketoaldonic acids" RELATED [ChEBI] is_a: CHEBI:33720 ! carbohydrate acid is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:24964 name: deoxyketohexose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "deoxyketohexose phosphates" RELATED [ChEBI] synonym: "ketodeoxyhexose phosphate" RELATED [ChEBI] is_a: CHEBI:24972 ! ketohexose phosphate is_a: CHEBI:63350 ! deoxyketohexose derivative [Term] id: CHEBI:24965 name: deoxyketohexose namespace: chebi_ontology def: "Any ketohexose having at least one hydroxy group replaced by hydrogen." [] subset: 3_STAR synonym: "deoxyketohexose" EXACT [ChEBI] synonym: "deoxyketohexoses" RELATED [ChEBI] synonym: "ketodeoxyhexose" RELATED [ChEBI] synonym: "ketodeoxyhexoses" RELATED [ChEBI] is_a: CHEBI:23639 ! deoxy sugar is_a: CHEBI:24973 ! ketohexose [Term] id: CHEBI:24970 name: ketohexose bisphosphate namespace: chebi_ontology subset: 3_STAR synonym: "ketohexose bisphosphate" EXACT [ChEBI] synonym: "ketohexose bisphosphates" RELATED [ChEBI] is_a: CHEBI:24972 ! ketohexose phosphate [Term] id: CHEBI:24971 name: ketohexose monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "ketohexose monophosphate" EXACT [ChEBI] synonym: "ketohexose monophosphates" RELATED [ChEBI] is_a: CHEBI:24972 ! ketohexose phosphate [Term] id: CHEBI:24972 name: ketohexose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "ketohexose phosphate" EXACT [ChEBI] synonym: "ketohexose phosphates" RELATED [ChEBI] is_a: CHEBI:35132 ! ketose phosphate is_a: CHEBI:47878 ! hexose phosphate [Term] id: CHEBI:24973 name: ketohexose namespace: chebi_ontology def: "Any hexose containing a single ketone group." [] subset: 3_STAR synonym: "ketohexose" EXACT [ChEBI] synonym: "ketohexoses" RELATED [ChEBI] is_a: CHEBI:18133 ! hexose is_a: CHEBI:24978 ! ketose [Term] id: CHEBI:24978 name: ketose namespace: chebi_ontology alt_id: CHEBI:6131 subset: 3_STAR synonym: "ketose" EXACT [ChEBI] synonym: "ketoses" RELATED [ChEBI] is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:24982 name: ketotriose namespace: chebi_ontology def: "Any ketone-containing triose." [] subset: 3_STAR synonym: "ketotriose" EXACT [ChEBI] synonym: "ketotrioses" RELATED [ChEBI] is_a: CHEBI:24978 ! ketose is_a: CHEBI:27137 ! triose [Term] id: CHEBI:24995 name: lactam namespace: chebi_ontology def: "Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring." [] subset: 3_STAR synonym: "lactam" EXACT [IUPAC] synonym: "lactams" EXACT IUPAC_NAME [IUPAC] synonym: "lactams" RELATED [ChEBI] synonym: "Laktam" RELATED [ChEBI] synonym: "Laktame" RELATED [ChEBI] is_a: CHEBI:23443 ! cyclic amide is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:38101 ! organonitrogen heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24996 name: lactate namespace: chebi_ontology def: "A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-hydroxypropanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "2-hydroxypropionate" RELATED [ChemIDplus] synonym: "89.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "89.07000" RELATED MASS [ChEBI] synonym: "b-lactate" RELATED [ChEBI] synonym: "beta-lactate" RELATED [ChEBI] synonym: "C3H5O3" RELATED FORMULA [ChEBI] synonym: "CC(O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1" RELATED InChI [ChEBI] synonym: "JVTAAEKCZFNVCJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "lactate" EXACT [UniProt] synonym: "MeCH(OH)CO2 anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3587719 "Beilstein" xref: CAS:113-21-3 "NIST Chemistry WebBook" xref: colombos:LACTATE xref: Gmelin:240074 "Gmelin" xref: KEGG:C01432 "ChEBI" xref: MetaCyc:Lactate is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: has_functional_parent CHEBI:17272 ! propionate relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28358 ! rac-lactic acid relationship: is_conjugate_base_of CHEBI:78320 ! 2-hydroxypropanoic acid [Term] id: CHEBI:25000 name: lactone namespace: chebi_ontology def: "Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring." [] subset: 3_STAR synonym: "Lacton" RELATED [ChEBI] synonym: "lactona" RELATED [IUPAC] synonym: "lactonas" RELATED [IUPAC] synonym: "lactone" EXACT IUPAC_NAME [IUPAC] synonym: "lactones" EXACT IUPAC_NAME [IUPAC] synonym: "Lakton" RELATED [ChEBI] synonym: "Laktone" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:25016 name: lead atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "207.20000" RELATED MASS [ChEBI] synonym: "207.977" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "82Pb" RELATED [IUPAC] synonym: "[Pb]" RELATED SMILES [ChEBI] synonym: "Blei" RELATED [ChEBI] synonym: "InChI=1S/Pb" RELATED InChI [ChEBI] synonym: "lead" EXACT IUPAC_NAME [IUPAC] synonym: "lead" RELATED [ChEBI] synonym: "Pb" RELATED [IUPAC] synonym: "Pb" RELATED FORMULA [ChEBI] synonym: "plomb" RELATED [ChEBI] synonym: "plomo" RELATED [ChEBI] synonym: "plumbum" RELATED [IUPAC] synonym: "WABPQHHGFIMREM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: KEGG:C06696 "ChEBI" xref: WebElements:Pb is_a: CHEBI:33306 ! carbon group element atom is_a: CHEBI:33521 ! metal atom [Term] id: CHEBI:25017 name: leucine namespace: chebi_ontology def: "A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group." [] subset: 3_STAR synonym: "(+-)-Leucine" RELATED [ChemIDplus] synonym: "(RS)-Leucine" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "131.095" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "131.17296" RELATED MASS [ChEBI] synonym: "2-amino-4-methylpentanoic acid" RELATED [IUPAC] synonym: "C6H13NO2" RELATED FORMULA [ChEBI] synonym: "CC(C)CC(N)C(O)=O" RELATED SMILES [ChEBI] synonym: "DL-Leucine" RELATED [ChemIDplus] synonym: "Hleu" RELATED [IUPAC] synonym: "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)" RELATED InChI [ChEBI] synonym: "L" RELATED [ChEBI] synonym: "Leu" RELATED [ChEBI] synonym: "Leucin" RELATED [ChEBI] synonym: "leucine" EXACT IUPAC_NAME [IUPAC] synonym: "Leuzin" RELATED [ChEBI] synonym: "ROHFNLRQFUQHCH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:636005 "Beilstein" xref: CAS:328-39-2 "NIST Chemistry WebBook" xref: colombos:LEUCINE xref: Gmelin:50203 "Gmelin" xref: KEGG:C16439 xref: LIPID_MAPS_instance:LMFA01100048 "LIPID MAPS" xref: PMID:17439666 "Europe PMC" xref: Reaxys:636005 "Reaxys" xref: Wikipedia:Leucine is_a: CHEBI:22918 ! branched-chain amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:30356 ! isobutyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32627 ! leucinate relationship: is_conjugate_base_of CHEBI:32628 ! leucinium relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:25094 name: lysine namespace: chebi_ontology def: "A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "146.106" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "146.18764" RELATED MASS [ChEBI] synonym: "2,6-diaminohexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,epsilon-diaminocaproic acid" RELATED [ChEBI] synonym: "C6H14N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)" RELATED InChI [ChEBI] synonym: "K" RELATED [ChEBI] synonym: "KDXKERNSBIXSRK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "LYS" RELATED [ChEBI] synonym: "Lysin" RELATED [ChEBI] synonym: "lysine" EXACT IUPAC_NAME [IUPAC] synonym: "NCCCCC(N)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1616991 "Beilstein" xref: CAS:70-54-2 "NIST Chemistry WebBook" xref: Gmelin:279284 "Gmelin" xref: KEGG:C16440 xref: PMID:17439666 "Europe PMC" xref: PMID:22264337 "Europe PMC" xref: Reaxys:1616991 "Reaxys" xref: Wikipedia:Lysine is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:35987 ! diamino acid relationship: has_functional_parent CHEBI:30776 ! hexanoic acid relationship: has_part CHEBI:50339 ! 4-aminobutyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32563 ! lysinate relationship: is_conjugate_base_of CHEBI:32564 ! lysinium(1+) [Term] id: CHEBI:25105 name: macrolide antibiotic namespace: chebi_ontology def: "A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity." [] subset: 3_STAR synonym: "macrolide antibiotics" RELATED [ChEBI] synonym: "Makrolidantibiotika" RELATED [ChEBI] is_a: CHEBI:25106 ! macrolide relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:25106 name: macrolide namespace: chebi_ontology def: "A macrocyclic lactone with a ring of twelve or more members derived from a polyketide." [] subset: 3_STAR synonym: "macrolide" EXACT [ChEBI] synonym: "macrolides" EXACT IUPAC_NAME [IUPAC] synonym: "macrolides" RELATED [ChEBI] synonym: "Makrolid" RELATED [ChEBI] xref: Wikipedia:Macrolide is_a: CHEBI:26188 ! polyketide is_a: CHEBI:63944 ! macrocyclic lactone [Term] id: CHEBI:25107 name: magnesium atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "12Mg" RELATED [IUPAC] synonym: "23.985" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "24.30500" RELATED MASS [ChEBI] synonym: "[Mg]" RELATED SMILES [ChEBI] synonym: "FYYHWMGAXLPEAU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Mg" RELATED InChI [ChEBI] synonym: "magnesio" RELATED [ChEBI] synonym: "Magnesium" RELATED [ChEBI] synonym: "magnesium" EXACT IUPAC_NAME [IUPAC] synonym: "magnesium" RELATED [ChEBI] synonym: "Mg" RELATED [IUPAC] synonym: "Mg" RELATED FORMULA [ChEBI] xref: CAS:7439-95-4 "ChemIDplus" xref: DrugBank:DB01378 xref: Gmelin:16207 "Gmelin" xref: KEGG:C00305 "ChEBI" xref: WebElements:Mg is_a: CHEBI:22313 ! alkaline earth metal atom relationship: has_role CHEBI:33937 ! macronutrient [Term] id: CHEBI:25108 name: magnesium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "magnesium compounds" RELATED [ChEBI] synonym: "magnesium molecular entities" RELATED [ChEBI] synonym: "magnesium molecular entity" EXACT [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:25107 ! magnesium atom [Term] id: CHEBI:25115 name: malate namespace: chebi_ontology def: "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of malic acid." [] subset: 3_STAR synonym: "malate anion" RELATED [ChEBI] synonym: "malates" RELATED [ChEBI] synonym: "malic acid anion" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion relationship: is_conjugate_base_of CHEBI:6650 ! malic acid [Term] id: CHEBI:25140 name: maltodextrin namespace: chebi_ontology def: "A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds." [] subset: 3_STAR xref: Wikipedia:Maltodextrin is_a: CHEBI:23652 ! dextrins [Term] id: CHEBI:25154 name: manganese molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "manganese compounds" RELATED [ChEBI] synonym: "manganese molecular entities" RELATED [ChEBI] synonym: "manganese molecular entity" EXACT [ChEBI] is_a: CHEBI:33743 ! manganese group molecular entity relationship: has_part CHEBI:18291 ! manganese atom [Term] id: CHEBI:25155 name: manganese cation namespace: chebi_ontology subset: 3_STAR synonym: "manganese cation" EXACT IUPAC_NAME [IUPAC] synonym: "manganese cations" RELATED [ChEBI] synonym: "Mn" RELATED FORMULA [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:35115 ! elemental manganese [Term] id: CHEBI:25166 name: mannosamine namespace: chebi_ontology subset: 3_STAR synonym: "mannosamines" RELATED [ChEBI] is_a: CHEBI:24586 ! hexosamine [Term] id: CHEBI:25195 name: mercury atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "200.59000" RELATED MASS [ChEBI] synonym: "201.971" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "80Hg" RELATED [IUPAC] synonym: "[Hg]" RELATED SMILES [ChEBI] synonym: "azogue" RELATED [ChEBI] synonym: "Hg" RELATED [IUPAC] synonym: "Hg" RELATED FORMULA [ChEBI] synonym: "hydrargyrum" RELATED [IUPAC] synonym: "InChI=1S/Hg" RELATED InChI [ChEBI] synonym: "liquid silver" RELATED [ChemIDplus] synonym: "mercure" RELATED [ChemIDplus] synonym: "mercurio" RELATED [ChEBI] synonym: "mercury" EXACT IUPAC_NAME [IUPAC] synonym: "mercury" RELATED [ChEBI] synonym: "QSHDDOUJBYECFT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Quecksilber" RELATED [ChemIDplus] synonym: "quicksilver" RELATED [ChemIDplus] xref: CAS:7439-97-6 "ChemIDplus" xref: WebElements:Hg is_a: CHEBI:33340 ! zinc group element atom [Term] id: CHEBI:25196 name: mercury molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "mercury compounds" RELATED [ChEBI] synonym: "mercury molecular entities" RELATED [ChEBI] is_a: CHEBI:33673 ! zinc group molecular entity relationship: has_part CHEBI:25195 ! mercury atom [Term] id: CHEBI:25197 name: mercury cation namespace: chebi_ontology subset: 3_STAR synonym: "mercury cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:35113 ! elemental mercury [Term] id: CHEBI:25212 name: metabolite namespace: chebi_ontology alt_id: CHEBI:26619 alt_id: CHEBI:35220 def: "Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites." [] subset: 3_STAR synonym: "metabolite" EXACT IUPAC_NAME [IUPAC] synonym: "metabolites" RELATED [ChEBI] synonym: "primary metabolites" RELATED [ChEBI] synonym: "secondary metabolites" RELATED [ChEBI] is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:25213 name: metal cation namespace: chebi_ontology subset: 3_STAR synonym: "a metal cation" RELATED [UniProt] synonym: "metal cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:25214 name: metal-sulfur cluster namespace: chebi_ontology def: "A metal-sulfur cluster is a unit comprising two or more metal atoms and bridging sulfur ligand(s)." [] subset: 3_STAR synonym: "metal-sulfur clusters" RELATED [ChEBI] synonym: "metallo-sulfur cluster" RELATED [ChEBI] is_a: CHEBI:33733 ! heteronuclear cluster relationship: has_role CHEBI:26348 ! prosthetic group [Term] id: CHEBI:25223 name: methanesulfonate ester namespace: chebi_ontology def: "An organosulfonic ester resulting from the formal condensation of methanesulfonic acid with the hydroxy group of an alcohol, phenol, heteroarenol, or enol." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "94.980" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "95.099" RELATED MASS [ChEBI] synonym: "CH3O3SR" RELATED FORMULA [ChEBI] synonym: "CS(O*)(=O)=O" RELATED SMILES [ChEBI] synonym: "mesylate ester" RELATED [ChEBI] synonym: "mesylate esters" RELATED [ChEBI] synonym: "methanesulfonic acid esters" RELATED [ChEBI] is_a: CHEBI:48544 ! methanesulfonates is_a: CHEBI:83347 ! organosulfonic ester [Term] id: CHEBI:25224 name: methanesulfonate namespace: chebi_ontology def: "A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "94.980" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "95.09872" RELATED MASS [ChEBI] synonym: "AFVFQIVMOAPDHO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "CH3O3S" RELATED FORMULA [ChEBI] synonym: "CS([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1" RELATED InChI [ChEBI] synonym: "methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "methanesulfonate" EXACT [UniProt] synonym: "methylsulfonate" RELATED [UM-BBD] xref: MetaCyc:CPD-3746 xref: UM-BBD_compID:c0347 "UM-BBD" is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate relationship: is_conjugate_base_of CHEBI:27376 ! methanesulfonic acid [Term] id: CHEBI:25255 name: methyl methanesulfonate namespace: chebi_ontology def: "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "110.004" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "110.13200" RELATED MASS [ChEBI] synonym: "as-Dimethyl sulfite" RELATED [ChemIDplus] synonym: "C2H6O3S" RELATED FORMULA [ChEBI] synonym: "CB1540" RELATED [ChEBI] synonym: "COS(C)(=O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3" RELATED InChI [ChEBI] synonym: "MBABOKRGFJTBAE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Methanesulfonic acid methyl ester" RELATED [ChemIDplus] synonym: "Methyl mesylate" RELATED [ChemIDplus] synonym: "methyl methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "MMS" RELATED [KEGG_COMPOUND] synonym: "MMS" RELATED [ChemIDplus] xref: CAS:66-27-3 "KEGG COMPOUND" xref: KEGG:C19181 xref: MetaCyc:CPD-7038 xref: PMID:11016630 "Europe PMC" xref: PMID:14761437 "Europe PMC" xref: PMID:16764919 "Europe PMC" xref: PMID:21353429 "Europe PMC" xref: PMID:21860482 "Europe PMC" xref: PMID:22907509 "Europe PMC" xref: PMID:23117069 "Europe PMC" xref: PMID:23384783 "Europe PMC" xref: PMID:23483329 "Europe PMC" xref: Reaxys:1098586 "Reaxys" xref: Wikipedia:Methyl_methanesulfonate is_a: CHEBI:25223 ! methanesulfonate ester relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:68495 ! apoptosis inducer [Term] id: CHEBI:25274 name: methylamines namespace: chebi_ontology subset: 3_STAR synonym: "methylated amines" RELATED [ChEBI] is_a: CHEBI:22331 ! alkylamines [Term] id: CHEBI:25350 name: mevalonate namespace: chebi_ontology def: "A hydroxy monocarboxylic acid anion that is the conjugate base of mevalonic acid, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "147.066" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.14914" RELATED MASS [ChEBI] synonym: "3,5-dihydroxy-3-methylpentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "C6H11O4" RELATED FORMULA [ChEBI] synonym: "CC(O)(CCO)CC([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1" RELATED InChI [ChEBI] synonym: "KJTLQQUUPVSXIM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "mevalonate anion" RELATED [ChEBI] xref: Beilstein:4383181 "Beilstein" xref: colombos:MEVALONATE xref: Reaxys:4383181 "Reaxys" is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: has_functional_parent CHEBI:31011 ! valerate relationship: is_conjugate_base_of CHEBI:25351 ! mevalonic acid [Term] id: CHEBI:25351 name: mevalonic acid namespace: chebi_ontology def: "A dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "148.074" RELATED MONOISOTOPIC_MASS [ChemIDplus] synonym: "148.15708" RELATED MASS [ChEBI] synonym: "3,5-dihydroxy-3-methylpentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C6H12O4" RELATED FORMULA [ChemIDplus] synonym: "CC(O)(CCO)CC(O)=O" RELATED SMILES [ChEBI] synonym: "DL-Mevalonic acid" RELATED [HMDB] synonym: "InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)" RELATED InChI [ChEBI] synonym: "KJTLQQUUPVSXIM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "MVA" RELATED [HMDB] synonym: "RS-Mevalonic acid" RELATED [HMDB] xref: Beilstein:1722595 "Beilstein" xref: HMDB:HMDB00227 xref: PMID:22770225 "Europe PMC" xref: Reaxys:1722595 "Reaxys" is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid relationship: has_functional_parent CHEBI:17418 ! valeric acid relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_acid_of CHEBI:25350 ! mevalonate [Term] id: CHEBI:25355 name: mitochondrial respiratory-chain inhibitor namespace: chebi_ontology subset: 3_STAR synonym: "mitochondrial electron transport chain inhibitors" RELATED [ChEBI] synonym: "mitochondrial electron-transport chain inhibitor" RELATED [ChEBI] synonym: "mitochondrial respiratory chain inhibitors" RELATED [ChEBI] is_a: CHEBI:38497 ! respiratory-chain inhibitor [Term] id: CHEBI:25357 name: mitomycin namespace: chebi_ontology def: "A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae." [] subset: 3_STAR synonym: "mitomycins" RELATED [ChEBI] xref: PMID:19777135 "Europe PMC" xref: Wikipedia:Mitomycin is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:25830 ! p-quinones is_a: CHEBI:38303 ! azirinopyrroloindole relationship: has_role CHEBI:24853 ! intercalator relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:25362 name: elemental molecule namespace: chebi_ontology def: "A molecule all atoms of which have the same atomic number." [] subset: 3_STAR synonym: "homoatomic molecule" RELATED [ChEBI] synonym: "homoatomic molecules" RELATED [ChEBI] is_a: CHEBI:25367 ! molecule is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:25367 name: molecule namespace: chebi_ontology def: "Any polyatomic entity that is an electrically neutral entity consisting of more than one atom." [] subset: 3_STAR synonym: "molecula" RELATED [IUPAC] synonym: "molecule" EXACT [IUPAC] synonym: "molecules" RELATED [IUPAC] synonym: "Molekuel" RELATED [ChEBI] synonym: "neutral molecular compounds" RELATED [IUPAC] is_a: CHEBI:36357 ! polyatomic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25370 name: molybdenum molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "molybdenum compounds" RELATED [ChEBI] synonym: "molybdenum molecular entities" RELATED [ChEBI] is_a: CHEBI:33741 ! chromium group molecular entity relationship: has_part CHEBI:28685 ! molybdenum atom [Term] id: CHEBI:25371 name: molybdic acid namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "161.95348" RELATED MASS [ChEBI] synonym: "163.901" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[H]O[Mo](=O)(=O)O[H]" RELATED SMILES [ChEBI] synonym: "[MoO2(OH)2]" RELATED [ChEBI] synonym: "dihydroxidodioxidomolybdenum" EXACT IUPAC_NAME [IUPAC] synonym: "H2MoO4" RELATED [ChEBI] synonym: "H2MoO4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2" RELATED InChI [ChEBI] synonym: "molybdic acid" EXACT [NIST_Chemistry_WebBook] synonym: "molybdic(VI) acid" RELATED [ChemIDplus] synonym: "VLAPMBHFAWRUQP-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] xref: CAS:7782-91-4 "ChemIDplus" xref: Gmelin:26071 "Gmelin" is_a: CHEBI:36267 ! molybdenum oxoacid relationship: is_conjugate_acid_of CHEBI:36263 ! hydrogenmolybdate [Term] id: CHEBI:25375 name: monoamine molecular messenger namespace: chebi_ontology def: "A group of neurotransmitters and neuromodulators that contain one amino group that is connected to an aromatic ring by ethylene group (-CH2-CH2-). Monoamines are derived from the aromatic amino acids phenylalanine, tyrosine, histidine and tryptophan." [] subset: 3_STAR synonym: "monamines" RELATED [ChEBI] synonym: "monoamine" RELATED [UniProt] synonym: "monoamines" RELATED [ChEBI] is_a: CHEBI:63534 ! monoamine relationship: has_role CHEBI:33280 ! molecular messenger [Term] id: CHEBI:25381 name: monoalkyl phosphate namespace: chebi_ontology subset: 3_STAR synonym: "monoalkyl phosphates" RELATED [ChEBI] is_a: CHEBI:22324 ! alkyl phosphate [Term] id: CHEBI:25384 name: monocarboxylic acid namespace: chebi_ontology def: "An oxoacid containing a single carboxy group." [] subset: 3_STAR synonym: "monocarboxylic acid" EXACT [UniProt] synonym: "monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35757 ! monocarboxylic acid anion [Term] id: CHEBI:25388 name: monohydroxybenzoate namespace: chebi_ontology def: "A hydroxybenzoate carrying a single hydroxy substituent at unspecified position." [] subset: 3_STAR synonym: "monohydroxybenzoates" RELATED [ChEBI] is_a: CHEBI:24675 ! hydroxybenzoate [Term] id: CHEBI:25389 name: monohydroxybenzoic acid namespace: chebi_ontology def: "Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring." [] subset: 3_STAR synonym: "monohydroxybenzoic acids" RELATED [ChEBI] is_a: CHEBI:24676 ! hydroxybenzoic acid [Term] id: CHEBI:25414 name: monoatomic monocation namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "0.00000" RELATED MASS [ChEBI] synonym: "[*+]" RELATED SMILES [ChEBI] synonym: "monoatomic monocations" RELATED [ChEBI] synonym: "monovalent cation" RELATED [UniProt] synonym: "monovalent inorganic cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation [Term] id: CHEBI:25430 name: monoatomic polycation namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic polycations" RELATED [ChEBI] synonym: "multivalent inorganic cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation [Term] id: CHEBI:25432 name: muramic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:28963 ! amino sugar is_a: CHEBI:63436 ! carbohydrate acid derivative [Term] id: CHEBI:25435 name: mutagen namespace: chebi_ontology def: "An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution." [] subset: 3_STAR synonym: "mutagene" RELATED [ChEBI] synonym: "mutagenes" RELATED [ChEBI] synonym: "mutagenic agent" RELATED [ChEBI] synonym: "mutageno" RELATED [ChEBI] synonym: "mutagenos" RELATED [ChEBI] synonym: "mutagens" RELATED [ChEBI] xref: Wikipedia:Mutagen is_a: CHEBI:50902 ! genotoxin [Term] id: CHEBI:25481 name: naphthoquinone namespace: chebi_ontology def: "A polycyclic aromatic ketone metabolite of naphthalene." [] subset: 3_STAR synonym: "naphthoquinones" RELATED [ChEBI] is_a: CHEBI:36141 ! quinone [Term] id: CHEBI:25506 name: neuraminates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:63561 ! ketoaldonate derivative relationship: is_conjugate_base_of CHEBI:25508 ! neuraminic acids [Term] id: CHEBI:25508 name: neuraminic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:28963 ! amino sugar is_a: CHEBI:63394 ! ketoaldonic acid derivative relationship: is_conjugate_acid_of CHEBI:25506 ! neuraminates [Term] id: CHEBI:25512 name: neurotransmitter namespace: chebi_ontology def: "An endogenous compound that is used to transmit information across the synapse between a neuron and another cell." [] subset: 3_STAR synonym: "neurotransmitters" RELATED [ChEBI] xref: Wikipedia:Neurotransmitter is_a: CHEBI:33280 ! molecular messenger [Term] id: CHEBI:25516 name: nickel cation namespace: chebi_ontology subset: 3_STAR synonym: "Ni" RELATED FORMULA [ChEBI] synonym: "Ni cation" RELATED [UniProt] synonym: "nickel cation" EXACT IUPAC_NAME [IUPAC] synonym: "nickel cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:60248 ! nickel ion [Term] id: CHEBI:25549 name: nitrites namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_functional_parent CHEBI:25567 ! nitrous acid [Term] id: CHEBI:25555 name: nitrogen atom namespace: chebi_ontology subset: 3_STAR synonym: "7N" RELATED [IUPAC] synonym: "azote" RELATED [IUPAC] synonym: "N" RELATED [IUPAC] synonym: "N" RELATED FORMULA [ChEBI] synonym: "nitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "nitrogen" RELATED [ChEBI] synonym: "nitrogeno" RELATED [ChEBI] synonym: "Stickstoff" RELATED [ChEBI] xref: WebElements:N is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33300 ! pnictogen relationship: has_role CHEBI:33937 ! macronutrient [Term] id: CHEBI:25558 name: organonitrogen heterocyclic antibiotic namespace: chebi_ontology subset: 3_STAR synonym: "organonitrogen heterocyclic antibiotics" RELATED [ChEBI] is_a: CHEBI:24531 ! heterocyclic antibiotic is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:25562 name: nitrophenol namespace: chebi_ontology def: "Any member of the class of phenols or substituted phenols carrying at least 1 nitro group." [] subset: 3_STAR synonym: "nitrophenols" RELATED [ChEBI] is_a: CHEBI:33853 ! phenols is_a: CHEBI:35716 ! C-nitro compound [Term] id: CHEBI:25567 name: nitrous acid namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "47.001" RELATED MONOISOTOPIC_MASS [NIST_Chemistry_WebBook] synonym: "47.01348" RELATED MASS [ChEBI] synonym: "[H]ON=O" RELATED SMILES [ChEBI] synonym: "[NO(OH)]" RELATED [IUPAC] synonym: "dioxonitric acid" EXACT IUPAC_NAME [IUPAC] synonym: "HNO2" RELATED FORMULA [NIST_Chemistry_WebBook] synonym: "HNO2" RELATED [IUPAC] synonym: "hydrogen dioxonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidooxidonitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/HNO2/c2-1-3/h(H,2,3)" RELATED InChI [ChEBI] synonym: "IOVCWXUNBOPUCH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "nitrosyl hydroxide" RELATED [NIST_Chemistry_WebBook] synonym: "nitrous acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7782-77-6 "ChemIDplus" xref: Gmelin:983 "Gmelin" xref: KEGG:C00088 xref: PDBeChem:NO2 is_a: CHEBI:33455 ! nitrogen oxoacid relationship: is_conjugate_acid_of CHEBI:16301 ! nitrite [Term] id: CHEBI:25585 name: nonmetal atom namespace: chebi_ontology subset: 3_STAR synonym: "Nichtmetall" RELATED [ChEBI] synonym: "Nichtmetalle" RELATED [ChEBI] synonym: "no metal" RELATED [ChEBI] synonym: "no metales" RELATED [ChEBI] synonym: "non-metal" RELATED [ChEBI] synonym: "non-metaux" RELATED [ChEBI] synonym: "nonmetal" EXACT IUPAC_NAME [IUPAC] synonym: "nonmetal" RELATED [ChEBI] synonym: "nonmetals" RELATED [ChEBI] is_a: CHEBI:33250 ! atom [Term] id: CHEBI:2559 name: aldohexose 6-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "Aldohexose 6-phosphate" EXACT [KEGG_COMPOUND] synonym: "C6H13O9P" RELATED FORMULA [KEGG_COMPOUND] xref: KEGG:C03251 is_a: CHEBI:47877 ! hexose 6-phosphate [Term] id: CHEBI:25605 name: nucleoside antibiotic namespace: chebi_ontology subset: 1_STAR synonym: "nucleoside antibiotics" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:25608 name: nucleoside phosphate namespace: chebi_ontology def: "A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates." [] subset: 3_STAR synonym: "NMP" RELATED [KEGG_COMPOUND] synonym: "Nucleoside monophosphate" RELATED [KEGG_COMPOUND] synonym: "nucleoside phosphates" RELATED [ChEBI] xref: KEGG:C01329 is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester is_a: CHEBI:61120 ! nucleobase-containing molecular entity relationship: has_functional_parent CHEBI:33838 ! nucleoside [Term] id: CHEBI:25646 name: octanoate namespace: chebi_ontology def: "A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "1-heptanecarboxylate" RELATED [ChEBI] synonym: "143.107" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "143.204" RELATED MASS [ChEBI] synonym: "C(CCCCCC)C(=O)[O-]" RELATED SMILES [ChEBI] synonym: "C8H15O2" RELATED FORMULA [ChEBI] synonym: "caprilate" RELATED [ChEBI] synonym: "caprylate" RELATED [ChEBI] synonym: "CH3-[CH2]6-COO(-)" RELATED [ChEBI] synonym: "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "n-caprylate" RELATED [ChEBI] synonym: "n-octanoate" RELATED [ChEBI] synonym: "n-octoate" RELATED [ChEBI] synonym: "n-octylate" RELATED [ChEBI] synonym: "octanoate" EXACT IUPAC_NAME [IUPAC] synonym: "octanoate" EXACT [ChemIDplus] synonym: "octanoate" EXACT [UniProt] synonym: "octanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "octylate" RELATED [ChEBI] synonym: "WWZKQHOCKIZLMA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3588079 "Beilstein" xref: CAS:74-81-7 "ChemIDplus" xref: Gmelin:329219 "Gmelin" xref: PMID:11983812 "Europe PMC" xref: Reaxys:3588079 "Reaxys" xref: UM-BBD_compID:c0047 "ChEBI" is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:78117 ! fatty acid anion 8:0 relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28837 ! octanoic acid [Term] id: CHEBI:25676 name: oligopeptide namespace: chebi_ontology alt_id: CHEBI:7755 def: "A peptide containing a relatively small number of amino acids." [] subset: 3_STAR synonym: "Oligopeptid" RELATED [ChEBI] synonym: "oligopeptides" EXACT IUPAC_NAME [IUPAC] synonym: "oligopeptido" RELATED [ChEBI] xref: Wikipedia:Oligopeptide is_a: CHEBI:16670 ! peptide [Term] id: CHEBI:25693 name: organic heteromonocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic heteromonocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33670 ! heteromonocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25696 name: organic anion namespace: chebi_ontology def: "Any organic ion with a net negative charge." [] subset: 3_STAR synonym: "organic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:25699 ! organic ion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25697 name: organic cation namespace: chebi_ontology def: "Any organic ion with a net positive charge." [] subset: 3_STAR synonym: "organic cations" RELATED [ChEBI] is_a: CHEBI:25699 ! organic ion is_a: CHEBI:36916 ! cation property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25698 name: ether namespace: chebi_ontology def: "An organooxygen compound with formula ROR, where R is not hydrogen." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "15.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "15.99940" RELATED MASS [ChEBI] synonym: "[*]O[*]" RELATED SMILES [ChEBI] synonym: "ether" EXACT IUPAC_NAME [IUPAC] synonym: "ethers" EXACT IUPAC_NAME [IUPAC] synonym: "ethers" RELATED [ChEBI] synonym: "OR2" RELATED FORMULA [ChEBI] is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:25699 name: organic ion namespace: chebi_ontology subset: 3_STAR synonym: "organic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25701 name: organic oxide namespace: chebi_ontology def: "An oxide in which the oxygen atom is bonded to a carbon atom." [] subset: 3_STAR synonym: "organic oxides" RELATED [ChEBI] is_a: CHEBI:25741 ! oxide is_a: CHEBI:72695 ! organic molecule [Term] id: CHEBI:25703 name: organic phosphate namespace: chebi_ontology subset: 3_STAR synonym: "organic phosphate" EXACT [ChEBI] synonym: "organic phosphate ester" RELATED [ChEBI] synonym: "organic phosphate esters" RELATED [ChEBI] synonym: "organic phosphates" RELATED [ChEBI] synonym: "organophosphate ester" RELATED [ChEBI] synonym: "organophosphate esters" RELATED [ChEBI] is_a: CHEBI:25710 ! organophosphorus compound is_a: CHEBI:26020 ! phosphate [Term] id: CHEBI:2571 name: aliphatic alcohol namespace: chebi_ontology def: "An alcohol derived from an aliphatic compound." [] subset: 3_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "17.003" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "17.007" RELATED MASS [KEGG_COMPOUND] synonym: "Aliphatic alcohol" EXACT [KEGG_COMPOUND] synonym: "aliphatic alcohols" RELATED [ChEBI] synonym: "an aliphatic alcohol" RELATED [UniProt] synonym: "HOR" RELATED FORMULA [KEGG_COMPOUND] xref: KEGG:C02525 is_a: CHEBI:30879 ! alcohol [Term] id: CHEBI:25710 name: organophosphorus compound namespace: chebi_ontology def: "An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters." [] subset: 3_STAR synonym: "organophosphorus compound" EXACT [ChEBI] synonym: "organophosphorus compounds" RELATED [ChEBI] is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:33285 ! heteroorganic entity [Term] id: CHEBI:25728 name: osmolyte namespace: chebi_ontology def: "A solute used by a cell under water stress to maintain cell volume." [] subset: 3_STAR synonym: "osmolytes" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:25741 name: oxide namespace: chebi_ontology def: "An oxide is a chemical compound of oxygen with other chemical elements." [] subset: 3_STAR synonym: "oxide" EXACT [ChEBI] synonym: "oxides" RELATED [ChEBI] is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25750 name: oxime namespace: chebi_ontology def: "Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "43.006" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "43.02470" RELATED MASS [ChEBI] synonym: "CHNOR2" RELATED FORMULA [ChEBI] synonym: "O\\N=C(\\[*])[*]" RELATED SMILES [ChEBI] synonym: "oxime" EXACT [IUPAC] synonym: "oximes" EXACT IUPAC_NAME [IUPAC] synonym: "oximes" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:25754 name: oxo carboxylic acid namespace: chebi_ontology def: "Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule." [] subset: 3_STAR synonym: "oxo acids" RELATED [IUPAC] synonym: "oxo carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "oxo carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:25805 name: oxygen atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "15.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "15.99940" RELATED MASS [ChEBI] synonym: "8O" RELATED [IUPAC] synonym: "[O]" RELATED SMILES [ChEBI] synonym: "InChI=1S/O" RELATED InChI [ChEBI] synonym: "O" RELATED [IUPAC] synonym: "O" RELATED FORMULA [ChEBI] synonym: "oxigeno" RELATED [ChEBI] synonym: "oxygen" EXACT IUPAC_NAME [IUPAC] synonym: "oxygen" RELATED [ChEBI] synonym: "oxygene" RELATED [ChEBI] synonym: "QVGXLLKOCUKJST-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Sauerstoff" RELATED [ChEBI] xref: KEGG:C00007 "ChEBI" xref: WebElements:O is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: has_role CHEBI:33937 ! macronutrient [Term] id: CHEBI:25806 name: oxygen molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "oxygen molecular entities" RELATED [ChEBI] synonym: "oxygen molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:25805 ! oxygen atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25810 name: oxopurine namespace: chebi_ontology subset: 3_STAR synonym: "oxopurines" RELATED [ChEBI] is_a: CHEBI:26401 ! purines [Term] id: CHEBI:25830 name: p-quinones namespace: chebi_ontology def: "A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring." [] subset: 3_STAR synonym: "p-quinone" RELATED [ChEBI] synonym: "para-quinones" RELATED [ChEBI] is_a: CHEBI:36141 ! quinone [Term] id: CHEBI:25848 name: pantothenic acids namespace: chebi_ontology def: "A class of amides formed from pantoic acid and beta-alanine and its derivatives." [] subset: 3_STAR is_a: CHEBI:22823 ! beta-alanine derivative is_a: CHEBI:37622 ! carboxamide relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:27314 ! water-soluble vitamin [Term] id: CHEBI:25865 name: penicillanic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:35992 ! penams [Term] id: CHEBI:25872 name: pentacyclic triterpenoid namespace: chebi_ontology subset: 3_STAR synonym: "pentacyclic triterpenoids" RELATED [ChEBI] is_a: CHEBI:36615 ! triterpenoid is_a: CHEBI:51958 ! organic polycyclic compound [Term] id: CHEBI:25883 name: pentahydroxyflavone namespace: chebi_ontology def: "A hydroxyflavone substituted by five hydroxy groups." [] subset: 3_STAR synonym: "pentahydroxyflavones" RELATED [ChEBI] is_a: CHEBI:24698 ! hydroxyflavone [Term] id: CHEBI:25900 name: aldopentose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "aldopentose phosphate" EXACT [ChEBI] synonym: "aldopentose phosphates" RELATED [ChEBI] is_a: CHEBI:35131 ! aldose phosphate is_a: CHEBI:84055 ! pentose phosphate [Term] id: CHEBI:25901 name: pentose namespace: chebi_ontology def: "A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose)." [] subset: 3_STAR synonym: "pentose" EXACT [ChEBI] synonym: "pentoses" RELATED [ChEBI] is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:25940 name: peroxides namespace: chebi_ontology def: "Compounds of structure ROOR'." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "31.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]OO[*]" RELATED SMILES [ChEBI] synonym: "a peroxide" RELATED [UniProt] synonym: "O2R2" RELATED FORMULA [ChEBI] is_a: CHEBI:25741 ! oxide relationship: has_part CHEBI:29369 ! peroxy group [Term] id: CHEBI:25941 name: peroxynitrite namespace: chebi_ontology def: "The nitrogen oxoanion formed by loss of a proton from peroxynitrous acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "61.988" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "62.00494" RELATED MASS [ChEBI] synonym: "[NO(OO)](-)" RELATED [IUPAC] synonym: "[O-]ON=O" RELATED SMILES [ChEBI] synonym: "azoperoxoite" EXACT IUPAC_NAME [IUPAC] synonym: "CMFNMSMUKZHDEY-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/HNO3/c2-1-4-3/h3H/p-1" RELATED InChI [ChEBI] synonym: "NO3" RELATED FORMULA [ChEBI] synonym: "oxidoperoxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "peroxynitrite" EXACT [UniProt] synonym: "peroxynitrite" EXACT [IUPAC] xref: CAS:19059-14-4 "KEGG COMPOUND" xref: colombos:PEROXYNITRITE xref: Gmelin:674445 "Gmelin" xref: KEGG:C16845 xref: Wikipedia:Peroxynitrite is_a: CHEBI:26523 ! reactive oxygen species is_a: CHEBI:33458 ! nitrogen oxoanion is_a: CHEBI:62764 ! reactive nitrogen species relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:25942 ! peroxynitrous acid [Term] id: CHEBI:25942 name: peroxynitrous acid namespace: chebi_ontology subset: 3_STAR synonym: "(dioxidanido)oxidonitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "62.996" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "63.01288" RELATED MASS [ChEBI] synonym: "[H]OON=O" RELATED SMILES [ChEBI] synonym: "[NO(OOH)]" RELATED [IUPAC] synonym: "azoperoxous acid" EXACT IUPAC_NAME [IUPAC] synonym: "CMFNMSMUKZHDEY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "dioxidanidooxidonitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "HNO(O2)" RELATED [IUPAC] synonym: "HNO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/HNO3/c2-1-4-3/h3H" RELATED InChI [ChEBI] synonym: "peroxynitrous acid" EXACT [IUPAC] synonym: "peroxynitrous acid" EXACT [ChEBI] xref: CAS:14691-52-2 "ChemIDplus" xref: Gmelin:49207 "Gmelin" is_a: CHEBI:33455 ! nitrogen oxoacid relationship: is_conjugate_acid_of CHEBI:25941 ! peroxynitrite [Term] id: CHEBI:25944 name: pesticide namespace: chebi_ontology def: "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests." [] subset: 3_STAR synonym: "pesticide" EXACT IUPAC_NAME [IUPAC] synonym: "pesticides" RELATED [ChEBI] synonym: "Pestizid" RELATED [ChEBI] synonym: "Pestizide" RELATED [ChEBI] xref: Wikipedia:Pesticide is_a: CHEBI:33232 ! application [Term] id: CHEBI:26004 name: phenylpropanoid namespace: chebi_ontology def: "Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin." [] subset: 3_STAR synonym: "phenylpropanoids" RELATED [ChEBI] xref: Wikipedia:Phenylpropanoid is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:26020 name: phosphate namespace: chebi_ontology def: "Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom." [] subset: 3_STAR synonym: "phosphates" EXACT IUPAC_NAME [IUPAC] synonym: "phosphates" RELATED [ChEBI] synonym: "Pi" RELATED [] is_a: CHEBI:26079 ! phosphoric acid derivative [Term] id: CHEBI:26045 name: phosphite ion namespace: chebi_ontology subset: 1_STAR synonym: "phosphite ions" RELATED [ChEBI] is_a: CHEBI:33461 ! phosphorus oxoanion [Term] id: CHEBI:26069 name: phosphonic acids namespace: chebi_ontology def: "HP(=O)(OH)2 (phosphonic acid) and its P-substituted derivatives." [] subset: 3_STAR synonym: "phosphonic acids" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives [Term] id: CHEBI:26078 name: phosphoric acid namespace: chebi_ontology def: "A phosphorus oxoacid that consits of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "97.977" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "97.99520" RELATED MASS [ChEBI] synonym: "[H]OP(=O)(O[H])O[H]" RELATED SMILES [ChEBI] synonym: "[PO(OH)3]" RELATED [IUPAC] synonym: "acide phosphorique" RELATED [ChEBI] synonym: "acidum phosphoricum" RELATED [ChEBI] synonym: "H3O4P" RELATED FORMULA [ChEBI] synonym: "H3PO4" RELATED [IUPAC] synonym: "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" RELATED InChI [ChEBI] synonym: "NBIIXXVUZAFLBC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Orthophosphoric acid" RELATED [KEGG_COMPOUND] synonym: "orthophosphoric acid" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphate" RELATED [KEGG_COMPOUND] synonym: "Phosphoric acid" EXACT [KEGG_COMPOUND] synonym: "phosphoric acid" EXACT [IUPAC] synonym: "Phosphorsaeure" RELATED [ChEBI] synonym: "Phosphorsaeureloesungen" RELATED [ChEBI] synonym: "tetraoxophosphoric acid" EXACT IUPAC_NAME [IUPAC] synonym: "trihydrogen tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1921286 "Beilstein" xref: CAS:7664-38-2 "ChemIDplus" xref: Drug_Central:4478 "DrugCentral" xref: Gmelin:2000 "Gmelin" xref: HMDB:HMDB02142 xref: KEGG:C00009 xref: KEGG:D05467 xref: KNApSAcK:C00007408 xref: PMID:11455380 "Europe PMC" xref: PMID:15630224 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:17518491 "Europe PMC" xref: PMID:22282755 "Europe PMC" xref: PMID:22333268 "Europe PMC" xref: PMID:22381614 "Europe PMC" xref: PMID:22401268 "Europe PMC" xref: Reaxys:1921286 "Reaxys" xref: Wikipedia:Phosphoric_Acid is_a: CHEBI:59698 ! phosphoric acids relationship: has_role CHEBI:33287 ! fertilizer relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:39745 ! dihydrogenphosphate [Term] id: CHEBI:26079 name: phosphoric acid derivative namespace: chebi_ontology subset: 1_STAR synonym: "phosphoric acid derivatives" RELATED [ChEBI] synonym: "phosphoric acids" RELATED [ChEBI] is_a: CHEBI:36359 ! phosphorus oxoacid derivative relationship: has_functional_parent CHEBI:26078 ! phosphoric acid [Term] id: CHEBI:26082 name: phosphorus molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus molecular entities" RELATED [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:28659 ! phosphorus atom [Term] id: CHEBI:26144 name: piperazines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:26155 name: plant growth regulator namespace: chebi_ontology def: "A chemical, natural or artificial, that can affect the rate of growth of a plant." [] subset: 3_STAR synonym: "plant growth regulators" RELATED [ChEBI] is_a: CHEBI:39317 ! growth regulator [Term] id: CHEBI:26167 name: polar amino acid namespace: chebi_ontology alt_id: CHEBI:8283 subset: 1_STAR synonym: "Polar amino acid" EXACT [KEGG_COMPOUND] synonym: "polar amino acids" RELATED [ChEBI] xref: KEGG:C06699 is_a: CHEBI:33709 ! amino acid [Term] id: CHEBI:26188 name: polyketide namespace: chebi_ontology def: "Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides." [] subset: 3_STAR synonym: "polyketide" EXACT [ChEBI] synonym: "polyketides" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26191 name: polyol namespace: chebi_ontology def: "A compound that contains two or more hydroxy groups." [] subset: 3_STAR synonym: "polyols" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:26195 name: polyphenol namespace: chebi_ontology def: "Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group." [] subset: 3_STAR synonym: "polyphenols" RELATED [ChEBI] xref: colombos:POLYPHENOLS xref: Wikipedia:Polyphenol is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:26216 name: potassium atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "19K" RELATED [IUPAC] synonym: "38.964" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "39.09830" RELATED MASS [ChEBI] synonym: "[K]" RELATED SMILES [ChEBI] synonym: "InChI=1S/K" RELATED InChI [ChEBI] synonym: "K" RELATED FORMULA [ChEBI] synonym: "K" RELATED [IUPAC] synonym: "Kalium" RELATED [ChemIDplus] synonym: "kalium" RELATED [IUPAC] synonym: "potasio" RELATED [ChEBI] synonym: "potassium" EXACT IUPAC_NAME [IUPAC] synonym: "potassium" RELATED [ChEBI] synonym: "ZLMJMSJWJFRBEC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7440-09-7 "ChemIDplus" xref: DrugBank:DB01345 xref: KEGG:C00238 "ChEBI" xref: WebElements:K is_a: CHEBI:22314 ! alkali metal atom relationship: has_role CHEBI:33937 ! macronutrient relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] id: CHEBI:26217 name: potassium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "potassium molecular entities" RELATED [ChEBI] synonym: "potassium molecular entity" EXACT [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity relationship: has_part CHEBI:26216 ! potassium atom [Term] id: CHEBI:26218 name: potassium salt namespace: chebi_ontology def: "Any alkali metal salt having potassium(1+) as the cation." [] subset: 3_STAR synonym: "Kaliumsalz" RELATED [ChEBI] synonym: "Kaliumsalze" RELATED [ChEBI] synonym: "potassium salts" RELATED [ChEBI] is_a: CHEBI:26217 ! potassium molecular entity is_a: CHEBI:35479 ! alkali metal salt relationship: has_part CHEBI:29103 ! potassium(1+) [Term] id: CHEBI:26271 name: proline namespace: chebi_ontology def: "An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "115.063" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "115.13050" RELATED MASS [ChEBI] synonym: "C5H9NO2" RELATED FORMULA [ChEBI] synonym: "DL-Proline" RELATED [KEGG_COMPOUND] synonym: "Hpro" RELATED [IUPAC] synonym: "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)" RELATED InChI [ChEBI] synonym: "OC(=O)C1CCCN1" RELATED SMILES [ChEBI] synonym: "ONIBWKKTOPOVIA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Prolin" RELATED [ChEBI] synonym: "prolina" RELATED [ChEBI] synonym: "proline" EXACT [ChEBI] synonym: "proline" EXACT IUPAC_NAME [IUPAC] synonym: "pyrrolidine-2-carboxylic acid" RELATED [IUPAC] xref: Beilstein:80809 "Beilstein" xref: CAS:609-36-9 "NIST Chemistry WebBook" xref: colombos:PROLINE xref: Gmelin:26927 "Gmelin" xref: KEGG:C16435 xref: PMID:16534801 "Europe PMC" xref: PMID:21400017 "Europe PMC" xref: PMID:21903295 "Europe PMC" xref: PMID:22264337 "Europe PMC" xref: PMID:22280966 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: Reaxys:80809 "Reaxys" xref: Wikipedia:Proline is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:38260 ! pyrrolidines relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32871 ! prolinate relationship: is_conjugate_base_of CHEBI:32872 ! prolinium [Term] id: CHEBI:26282 name: propanals namespace: chebi_ontology def: "An aldehyde based on a propanal skeleton and its derivatives." [] subset: 3_STAR is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:26284 name: propane-1,2-diols namespace: chebi_ontology subset: 1_STAR synonym: "propane-1,2-diols" EXACT [ChEBI] is_a: CHEBI:26288 ! propanediol [Term] id: CHEBI:26288 name: propanediol namespace: chebi_ontology subset: 1_STAR synonym: "propanediols" RELATED [ChEBI] is_a: CHEBI:13643 ! glycol relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:2634 name: amidine namespace: chebi_ontology def: "Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine." [] subset: 3_STAR synonym: "amidine" EXACT [IUPAC] synonym: "Amidines" RELATED [KEGG_COMPOUND] synonym: "amidines" EXACT IUPAC_NAME [IUPAC] synonym: "amidines" RELATED [ChEBI] is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:26348 name: prosthetic group namespace: chebi_ontology def: "A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity." [] subset: 3_STAR synonym: "groupe prosthetique" RELATED [IUPAC] synonym: "prosthetic group" EXACT IUPAC_NAME [IUPAC] synonym: "prosthetic groups" RELATED [ChEBI] is_a: CHEBI:23357 ! cofactor [Term] id: CHEBI:26386 name: purine nucleobase namespace: chebi_ontology subset: 3_STAR synonym: "purine bases" RELATED [ChEBI] synonym: "purine nucleobase" EXACT [ChEBI] synonym: "purine nucleobases" RELATED [ChEBI] xref: KEGG:C15587 is_a: CHEBI:18282 ! nucleobase is_a: CHEBI:26401 ! purines [Term] id: CHEBI:26389 name: purine deoxyribonucleoside triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine deoxyribonucleoside triphosphates" RELATED [ChEBI] is_a: CHEBI:16516 ! 2'-deoxyribonucleoside triphosphate is_a: CHEBI:26393 ! purine nucleoside triphosphate [Term] id: CHEBI:26390 name: purine 2'-deoxyribonucleotide namespace: chebi_ontology subset: 3_STAR synonym: "purine 2'-deoxyribonucleotides" RELATED [ChEBI] is_a: CHEBI:19260 ! 2'-deoxyribonucleotide is_a: CHEBI:26395 ! purine nucleotide [Term] id: CHEBI:26391 name: purine nucleoside diphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine nucleoside diphosphates" RELATED [ChEBI] is_a: CHEBI:16862 ! nucleoside diphosphate [Term] id: CHEBI:26392 name: purine nucleoside monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine nucleoside monophosphates" RELATED [ChEBI] is_a: CHEBI:17188 ! nucleoside 5'-monophosphate [Term] id: CHEBI:26393 name: purine nucleoside triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine nucleoside triphosphates" RELATED [ChEBI] is_a: CHEBI:17326 ! nucleoside triphosphate [Term] id: CHEBI:26394 name: purine nucleoside namespace: chebi_ontology subset: 3_STAR synonym: "purine nucleoside" EXACT [ChEBI] synonym: "purine nucleosides" RELATED [ChEBI] is_a: CHEBI:26401 ! purines is_a: CHEBI:33838 ! nucleoside [Term] id: CHEBI:26395 name: purine nucleotide namespace: chebi_ontology def: "Any nucleotide that has a purine nucleobase." [] subset: 3_STAR synonym: "purine nucleotides" RELATED [ChEBI] is_a: CHEBI:26401 ! purines is_a: CHEBI:36976 ! nucleotide [Term] id: CHEBI:26396 name: purine ribonucleoside diphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside diphosphates" RELATED [ChEBI] is_a: CHEBI:17668 ! ribonucleoside diphosphate is_a: CHEBI:26391 ! purine nucleoside diphosphate [Term] id: CHEBI:26397 name: purine ribonucleoside monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside monophosphates" RELATED [ChEBI] is_a: CHEBI:26392 ! purine nucleoside monophosphate is_a: CHEBI:26558 ! ribonucleoside monophosphate [Term] id: CHEBI:26398 name: purine ribonucleoside triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside triphosphates" RELATED [ChEBI] is_a: CHEBI:17972 ! ribonucleoside triphosphate is_a: CHEBI:26393 ! purine nucleoside triphosphate [Term] id: CHEBI:26399 name: purine ribonucleoside namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleosides" RELATED [ChEBI] is_a: CHEBI:18254 ! ribonucleoside is_a: CHEBI:26394 ! purine nucleoside [Term] id: CHEBI:26400 name: purine ribonucleotide namespace: chebi_ontology def: "Any ribonucleotide that has a purine nucleobase." [] subset: 3_STAR synonym: "purine ribonucleotides" RELATED [ChEBI] is_a: CHEBI:26395 ! purine nucleotide is_a: CHEBI:26561 ! ribonucleotide [Term] id: CHEBI:26401 name: purines namespace: chebi_ontology alt_id: CHEBI:13678 def: "A class of imidazopyrimidines that consists of purine and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:35875 ! imidazopyrimidine [Term] id: CHEBI:26404 name: puromycins namespace: chebi_ontology subset: 1_STAR synonym: "puromycins" EXACT [ChEBI] is_a: CHEBI:22260 ! adenosines relationship: has_role CHEBI:25605 ! nucleoside antibiotic [Term] id: CHEBI:26421 name: pyridines namespace: chebi_ontology def: "Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:26432 name: pyrimidine nucleobase namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine bases" RELATED [ChEBI] synonym: "pyrimidine nucleobase" EXACT [ChEBI] synonym: "pyrimidine nucleobases" RELATED [ChEBI] is_a: CHEBI:18282 ! nucleobase is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:26438 name: pyrimidine nucleoside monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine nucleoside monophosphates" RELATED [ChEBI] is_a: CHEBI:17188 ! nucleoside 5'-monophosphate [Term] id: CHEBI:26439 name: pyrimidine nucleoside triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine nucleoside triphosphates" RELATED [ChEBI] is_a: CHEBI:17326 ! nucleoside triphosphate [Term] id: CHEBI:26440 name: pyrimidine nucleoside namespace: chebi_ontology subset: 3_STAR synonym: "N-D-Ribosylpyrimidine" RELATED [KEGG_COMPOUND] synonym: "pyrimidine nucleosides" RELATED [ChEBI] xref: KEGG:C03169 is_a: CHEBI:33838 ! nucleoside is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:26441 name: pyrimidine nucleotide namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine nucleotides" RELATED [ChEBI] is_a: CHEBI:36976 ! nucleotide is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:26443 name: pyrimidine ribonucleoside monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine ribonucleoside monophosphates" RELATED [ChEBI] is_a: CHEBI:26438 ! pyrimidine nucleoside monophosphate is_a: CHEBI:26558 ! ribonucleoside monophosphate [Term] id: CHEBI:26444 name: pyrimidine ribonucleoside triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine ribonucleoside triphosphates" RELATED [ChEBI] is_a: CHEBI:17972 ! ribonucleoside triphosphate is_a: CHEBI:26439 ! pyrimidine nucleoside triphosphate [Term] id: CHEBI:26446 name: pyrimidine ribonucleotide namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine ribonucleotides" RELATED [ChEBI] is_a: CHEBI:26441 ! pyrimidine nucleotide is_a: CHEBI:26561 ! ribonucleotide [Term] id: CHEBI:26455 name: pyrroles namespace: chebi_ontology def: "An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton." [] subset: 3_STAR is_a: CHEBI:68452 ! azole [Term] id: CHEBI:26463 name: pyruvate family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is biosynthesised from pyruvate (i.e. alanine, valine, and leucine). A closed class." [] subset: 3_STAR synonym: "pyruvate family amino acids" RELATED [ChEBI] is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:26469 name: quaternary nitrogen compound namespace: chebi_ontology def: "A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen." [] subset: 3_STAR is_a: CHEBI:35352 ! organonitrogen compound relationship: has_part CHEBI:35267 ! quaternary ammonium ion [Term] id: CHEBI:26512 name: quinolinemonocarboxylic acid namespace: chebi_ontology def: "Any aromatic carboxylic acid that contains a quinoline moiety that is substituted by one carboxy substituent." [] subset: 3_STAR synonym: "quinolinemonocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:26513 ! quinolines is_a: CHEBI:33859 ! aromatic carboxylic acid relationship: is_conjugate_acid_of CHEBI:38773 ! quinolinemonocarboxylate [Term] id: CHEBI:26513 name: quinolines namespace: chebi_ontology def: "A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring." [] subset: 3_STAR is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:26519 name: radical namespace: chebi_ontology def: "A molecular entity possessing an unpaired electron." [] subset: 3_STAR synonym: "free radical" RELATED [ChEBI] synonym: "freies Radikal" RELATED [ChEBI] synonym: "radical" EXACT IUPAC_NAME [IUPAC] synonym: "radical libre" RELATED [ChEBI] synonym: "radicales libres" RELATED [ChEBI] synonym: "radicals" RELATED [IUPAC] synonym: "Radikal" RELATED [ChEBI] synonym: "Radikale" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:26523 name: reactive oxygen species namespace: chebi_ontology def: "Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers." [] subset: 3_STAR synonym: "ROS" RELATED [ChEBI] xref: Wikipedia:Reactive_oxygen_species is_a: CHEBI:25806 ! oxygen molecular entity [Term] id: CHEBI:26546 name: rhamnose namespace: chebi_ontology def: "A deoxymannose sugar that is the 6-deoxy derivative of hexose." [] subset: 3_STAR synonym: "C6H12O5" RELATED FORMULA [ChEBI] synonym: "ramnose" RELATED [ChEBI] synonym: "rhamnose" EXACT [UniProt] xref: PMID:24211429 "Europe PMC" xref: PMID:24831810 "Europe PMC" is_a: CHEBI:33983 ! deoxymannose relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:26558 name: ribonucleoside monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleoside monophosphates" RELATED [ChEBI] is_a: CHEBI:17188 ! nucleoside 5'-monophosphate relationship: is_conjugate_acid_of CHEBI:63165 ! ribonucleoside monophosphate oxoanion [Term] id: CHEBI:26561 name: ribonucleotide namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleotides" RELATED [ChEBI] is_a: CHEBI:26562 ! ribose phosphate is_a: CHEBI:36976 ! nucleotide [Term] id: CHEBI:26562 name: ribose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribose phosphate" EXACT [ChEBI] synonym: "ribose phosphates" RELATED [ChEBI] is_a: CHEBI:25900 ! aldopentose phosphate [Term] id: CHEBI:26580 name: rifamycins namespace: chebi_ontology subset: 3_STAR synonym: "rifamycin" RELATED [ChEBI] xref: Wikipedia:Rifamycin is_a: CHEBI:22565 ! ansamycin is_a: CHEBI:39270 ! naphthofuran [Term] id: CHEBI:26607 name: saturated fatty acid namespace: chebi_ontology def: "Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess." [] subset: 3_STAR synonym: "saturated fatty acid" EXACT [ChEBI] synonym: "saturated fatty acids" RELATED [ChEBI] synonym: "SFA" RELATED [ChEBI] synonym: "SFAs" RELATED [ChEBI] xref: PMID:16492686 "Europe PMC" xref: PMID:19763019 "Europe PMC" xref: PMID:20237329 "Europe PMC" is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:26626 name: selenites namespace: chebi_ontology def: "Salts and esters of selenous acid." [] subset: 3_STAR is_a: CHEBI:26628 ! selenium molecular entity relationship: has_functional_parent CHEBI:26642 ! selenous acid [Term] id: CHEBI:26628 name: selenium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "selenium molecular entities" RELATED [ChEBI] synonym: "selenium molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:27568 ! selenium atom [Term] id: CHEBI:26642 name: selenous acid namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "128.97408" RELATED MASS [ChEBI] synonym: "129.917" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[SeO(OH)2]" RELATED [IUPAC] synonym: "dihydroxidooxidoselenium" EXACT IUPAC_NAME [IUPAC] synonym: "H2O3Se" RELATED FORMULA [ChEBI] synonym: "InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)" RELATED InChI [ChEBI] synonym: "MCAHWIHFGHIESP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "O[Se](O)=O" RELATED SMILES [ChEBI] synonym: "selenige Saeure" RELATED [ChEBI] synonym: "selenious acid" RELATED [ChemIDplus] synonym: "selenous acid" EXACT [UniProt] synonym: "selenous acid" EXACT [ChEBI] synonym: "selenous acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7783-00-8 "ChemIDplus" xref: Gmelin:25856 "Gmelin" is_a: CHEBI:33489 ! selenium oxoacid relationship: is_conjugate_acid_of CHEBI:29924 ! hydrogenselenite [Term] id: CHEBI:26643 name: aldehydic acid namespace: chebi_ontology def: "A monocarboxylic acid derived from any dicarboxylic acid that has a retained name by the formal reduction of one of the carboxy groups to a formyl group. The resulting structure, also known as a semialdehyde, may be named by replacing the ending '...ic acid' of the retained name of the dicarboxylic acid by the ending '...aldehydic acid'. Aldehydic acids therefore contain one carboxy group and one aldehyde group." [] subset: 3_STAR synonym: "aldehydic acids" RELATED [ChEBI] synonym: "semi-aldehyde" RELATED [ChEBI] synonym: "semi-aldehydes" RELATED [ChEBI] synonym: "Semialdehyd" RELATED [ChEBI] synonym: "semialdehyde" RELATED [ChEBI] synonym: "semialdehydes" RELATED [ChEBI] is_a: CHEBI:17478 ! aldehyde is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:71944 ! aldehydic acid anion [Term] id: CHEBI:26649 name: serine derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of serine by a heteroatom. The definition normally excludes peptides containing serine residues." [] subset: 3_STAR synonym: "serine derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:17822 ! serine [Term] id: CHEBI:26650 name: serine family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class." [] subset: 3_STAR synonym: "3-phosphoglycerate family amino acid" RELATED [ChEBI] synonym: "3-phosphoglycerate family amino acids" RELATED [ChEBI] synonym: "serine family amino acids" RELATED [ChEBI] xref: PMID:20709681 "Europe PMC" is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:26666 name: short-chain fatty acid namespace: chebi_ontology def: "An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "30.011" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "CH2OR" RELATED FORMULA [ChEBI] synonym: "OC([*])=O" RELATED SMILES [ChEBI] synonym: "SCFA" RELATED [ChEBI] synonym: "SCFAs" RELATED [ChEBI] synonym: "short-chain fatty acids" RELATED [ChEBI] xref: PMID:16633129 "Europe PMC" xref: PMID:16870803 "Europe PMC" xref: PMID:18203540 "Europe PMC" xref: PMID:20148677 "Europe PMC" is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:58951 ! short-chain fatty acid anion [Term] id: CHEBI:26667 name: sialic acid namespace: chebi_ontology def: "Any of the N-acylneuraminic acids and their esters and other derivatives of the alcoholic hydroxy groups." [] subset: 3_STAR synonym: "acide sialique" RELATED [ChEBI] synonym: "acides sialique" RELATED [ChEBI] synonym: "sialic acids" RELATED [ChEBI] synonym: "Sialsaeure" RELATED [ChEBI] synonym: "Sialsaeuren" RELATED [ChEBI] is_a: CHEBI:25508 ! neuraminic acids relationship: is_conjugate_acid_of CHEBI:62944 ! sialic acid anion [Term] id: CHEBI:26672 name: siderophore namespace: chebi_ontology def: "Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron." [] subset: 3_STAR synonym: "ferrioxamine" RELATED [ChEBI] synonym: "ferrioxamines" RELATED [ChEBI] synonym: "ironophore" RELATED [ChEBI] synonym: "siderochrome" RELATED [ChEBI] synonym: "siderochromes" RELATED [ChEBI] synonym: "siderophore" EXACT IUPAC_NAME [IUPAC] synonym: "siderophores" RELATED [ChEBI] is_a: CHEBI:23357 ! cofactor is_a: CHEBI:24028 ! iron(3+) chelator is_a: CHEBI:24874 ! iron ionophore [Term] id: CHEBI:26706 name: sn-glycerol 3-phosphates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26707 ! glycerol phosphate [Term] id: CHEBI:26707 name: glycerol phosphate namespace: chebi_ontology subset: 1_STAR synonym: "glycerol phosphates" RELATED [ChEBI] is_a: CHEBI:22297 ! alditol phosphate relationship: has_functional_parent CHEBI:17754 ! glycerol [Term] id: CHEBI:26708 name: sodium atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "11Na" RELATED [IUPAC] synonym: "22.98977" RELATED MASS [ChEBI] synonym: "22.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[Na]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Na" RELATED InChI [ChEBI] synonym: "KEAYESYHFKHZAL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Na" RELATED [IUPAC] synonym: "Na" RELATED FORMULA [ChEBI] synonym: "Natrium" RELATED [ChemIDplus] synonym: "natrium" RELATED [IUPAC] synonym: "sodio" RELATED [ChemIDplus] synonym: "sodium" EXACT IUPAC_NAME [IUPAC] synonym: "sodium" RELATED [ChEBI] xref: CAS:7440-23-5 "ChemIDplus" xref: Gmelin:16221 "Gmelin" xref: KEGG:C01330 "ChEBI" xref: WebElements:Na is_a: CHEBI:22314 ! alkali metal atom relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] id: CHEBI:26710 name: sodium chloride namespace: chebi_ontology def: "An inorganic chloride salt having sodium(1+) as the counterion." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "57.959" RELATED MONOISOTOPIC_MASS [NIST_Chemistry_WebBook] synonym: "58.44247" RELATED MASS [ChEBI] synonym: "[Na+].[Cl-]" RELATED SMILES [ChEBI] synonym: "chlorure de sodium" RELATED [ChEBI] synonym: "ClNa" RELATED FORMULA [NIST_Chemistry_WebBook] synonym: "cloruro sodico" RELATED [ChEBI] synonym: "common salt" RELATED [ChemIDplus] synonym: "FAPWRFPIFSIZLT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "halite" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/ClH.Na/h1H;/q;+1/p-1" RELATED InChI [ChEBI] synonym: "Kochsalz" RELATED [ChEBI] synonym: "NaCl" RELATED [IUPAC] synonym: "natrii chloridum" RELATED [ChEBI] synonym: "Natriumchlorid" RELATED [NIST_Chemistry_WebBook] synonym: "rock salt" RELATED [ChemIDplus] synonym: "salt" RELATED [ChemIDplus] synonym: "sodium chloride" EXACT [ChEBI] synonym: "sodium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "table salt" RELATED [ChemIDplus] xref: Beilstein:3534976 "Beilstein" xref: CAS:7647-14-5 "KEGG COMPOUND" xref: colombos:NaCl xref: Gmelin:13673 "Gmelin" xref: KEGG:C13563 xref: KEGG:D02056 xref: MetaCyc:NACL xref: Reaxys:3534976 "Reaxys" xref: Wikipedia:Sodium_Chloride is_a: CHEBI:36093 ! inorganic chloride is_a: CHEBI:38702 ! inorganic sodium salt [Term] id: CHEBI:26712 name: sodium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "sodium compounds" RELATED [ChEBI] synonym: "sodium molecular entities" RELATED [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity relationship: has_part CHEBI:26708 ! sodium atom [Term] id: CHEBI:26714 name: sodium salt namespace: chebi_ontology def: "Any alkali metal salt having sodium(1+) as the cation." [] subset: 3_STAR synonym: "Natriumsalz" RELATED [ChEBI] synonym: "Natriumsalze" RELATED [ChEBI] synonym: "sodium salts" RELATED [ChEBI] is_a: CHEBI:26712 ! sodium molecular entity is_a: CHEBI:35479 ! alkali metal salt relationship: has_part CHEBI:29101 ! sodium(1+) [Term] id: CHEBI:2676 name: amoxicillin namespace: chebi_ontology alt_id: CHEBI:133770 def: "A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group." [] subset: 3_STAR synonym: "(2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "365.105" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "365.40400" RELATED MASS [ChEBI] synonym: "6-(p-hydroxy-alpha-aminophenylacetamido)penicillanic acid" RELATED [ChemIDplus] synonym: "6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C(O)=O" RELATED SMILES [ChEBI] synonym: "alpha-amino-p-hydroxybenzylpenicillin" RELATED [ChemIDplus] synonym: "Amolin" RELATED BRAND_NAME [DrugBank] synonym: "Amopenixin" RELATED BRAND_NAME [DrugBank] synonym: "amoxicilina" RELATED INN [ChemIDplus] synonym: "Amoxicillin" EXACT [KEGG_COMPOUND] synonym: "amoxicillin" RELATED INN [KEGG_DRUG] synonym: "Amoxicillin anhydrous" RELATED [KEGG_COMPOUND] synonym: "amoxicilline" RELATED INN [ChemIDplus] synonym: "amoxicillinum" RELATED INN [ChemIDplus] synonym: "amoxycilin" RELATED [ChEBI] synonym: "amoxycillin" RELATED [ChemIDplus] synonym: "AMPC" RELATED BRAND_NAME [DrugBank] synonym: "AX" RELATED [ChEBI] synonym: "C16H19N3O5S" RELATED FORMULA [ChEBI] synonym: "Clamoxyl" RELATED BRAND_NAME [ChemIDplus] synonym: "InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1" RELATED InChI [ChEBI] synonym: "LSQZJLSUYDQPKJ-NJBDSQKTSA-N" RELATED InChIKey [ChEBI] synonym: "Moxal" RELATED BRAND_NAME [DrugBank] synonym: "p-hydroxyampicillin" RELATED [ChemIDplus] xref: Beilstein:4274654 "Beilstein" xref: CAS:26787-78-0 "KEGG COMPOUND" xref: colombos:AMOXICILLIN xref: Drug_Central:192 "DrugCentral" xref: DrugBank:DB01060 xref: HMDB:HMDB15193 xref: KEGG:C06827 xref: KEGG:D07452 xref: LINCS:LSM-5654 xref: Patent:DE1942693 xref: Patent:GB1241844 xref: Patent:GB978178 xref: Patent:US3192198 xref: PMID:10930630 "Europe PMC" xref: PMID:11431418 "Europe PMC" xref: PMID:11906332 "Europe PMC" xref: PMID:12569987 "Europe PMC" xref: PMID:12833570 "Europe PMC" xref: PMID:12850488 "Europe PMC" xref: PMID:16033609 "Europe PMC" xref: PMID:2083978 "Europe PMC" xref: PMID:24595455 "Europe PMC" xref: PMID:24631718 "Europe PMC" xref: PMID:24759068 "Europe PMC" xref: PMID:25998949 "Europe PMC" xref: PMID:27731424 "Europe PMC" xref: Reaxys:4274654 "Reaxys" xref: Wikipedia:Amoxicillin is_a: CHEBI:88187 ! penicillin allergen relationship: has_role CHEBI:36047 ! antibacterial drug relationship: is_conjugate_acid_of CHEBI:51256 ! amoxicillin(1-) [Term] id: CHEBI:26764 name: steroid hormone namespace: chebi_ontology def: "Any steroid that acts as hormone." [] subset: 3_STAR synonym: "hormona esteroide" RELATED [ChEBI] synonym: "hormonas esteroideas" RELATED [ChEBI] synonym: "hormone steroide" RELATED [ChEBI] synonym: "hormones steroides" RELATED [ChEBI] synonym: "steroid hormones" RELATED [ChEBI] synonym: "Steroidhormon" RELATED [ChEBI] synonym: "Steroidhormone" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_role CHEBI:24621 ! hormone [Term] id: CHEBI:26788 name: streptomycins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22479 ! amino cyclitol glycoside is_a: CHEBI:22507 ! aminoglycoside antibiotic [Term] id: CHEBI:26806 name: succinate namespace: chebi_ontology def: "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of succinic acid." [] subset: 3_STAR synonym: "succinate anion" RELATED [ChEBI] synonym: "succinates" RELATED [ChEBI] synonym: "succinic acid anion" RELATED [ChEBI] xref: colombos:SUCCINATE is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] id: CHEBI:26816 name: carbohydrate phosphate namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate phosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:26820 name: sulfates namespace: chebi_ontology def: "Salts and esters of sulfuric acid" [] subset: 3_STAR synonym: "sulfates" EXACT [ChEBI] synonym: "sulfuric acid derivative" RELATED [ChEBI] synonym: "sulphates" RELATED [ChEBI] is_a: CHEBI:37826 ! sulfuric acid derivative [Term] id: CHEBI:26830 name: sulfonium compound namespace: chebi_ontology subset: 1_STAR synonym: "sulfonium compounds" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:26833 name: sulfur atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "16S" RELATED [IUPAC] synonym: "31.972" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "32.06600" RELATED MASS [ChEBI] synonym: "[S]" RELATED SMILES [ChEBI] synonym: "azufre" RELATED [ChEBI] synonym: "Elemental sulfur" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/S" RELATED InChI [ChEBI] synonym: "NINIDFKCEFEMDL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "S" RELATED [KEGG_COMPOUND] synonym: "S" RELATED FORMULA [ChEBI] synonym: "S" RELATED [IUPAC] synonym: "Schwefel" RELATED [ChEBI] synonym: "soufre" RELATED [ChEBI] synonym: "sulfur" EXACT IUPAC_NAME [IUPAC] synonym: "sulfur" RELATED [ChEBI] synonym: "sulfur" RELATED [UniProt] synonym: "sulphur" RELATED [ChEBI] synonym: "theion" RELATED [IUPAC] xref: CAS:7704-34-9 "ChemIDplus" xref: KEGG:C00087 xref: KEGG:D06527 xref: WebElements:S is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: has_role CHEBI:33937 ! macronutrient [Term] id: CHEBI:26834 name: sulfur-containing amino acid namespace: chebi_ontology subset: 3_STAR synonym: "sulfur-containing amino acids" RELATED [ChEBI] is_a: CHEBI:33576 ! sulfur-containing carboxylic acid is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63470 ! sulfur-containing amino-acid anion [Term] id: CHEBI:26835 name: sulfur molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "sulfur molecular entities" RELATED [ChEBI] synonym: "sulfur molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:26833 ! sulfur atom [Term] id: CHEBI:26836 name: sulfuric acid namespace: chebi_ontology def: "A sulfur oxoacid that consits of two oxo and two hydroxy groups joined covalently to a central sulfur atom." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "97.967" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "98.07948" RELATED MASS [ChEBI] synonym: "[H]OS(=O)(=O)O[H]" RELATED SMILES [ChEBI] synonym: "[S(OH)2O2]" RELATED [MolBase] synonym: "[SO2(OH)2]" RELATED [IUPAC] synonym: "Acide sulfurique" RELATED [ChemIDplus] synonym: "Acido sulfurico" RELATED [ChemIDplus] synonym: "Acidum sulfuricum" RELATED [ChemIDplus] synonym: "dihydrogen tetraoxosulfate" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "H2O4S" RELATED FORMULA [ChEBI] synonym: "H2SO4" RELATED [IUPAC] synonym: "hydrogen tetraoxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen tetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)" RELATED InChI [ChEBI] synonym: "QAOWNCQODCNURD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Schwefelsaeureloesungen" RELATED [ChemIDplus] synonym: "Sulfuric acid" EXACT [KEGG_COMPOUND] synonym: "sulfuric acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulfuric acid" EXACT [ChEBI] synonym: "sulphuric acid" RELATED [MolBase] synonym: "tetraoxosulfuric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7664-93-9 "KEGG COMPOUND" xref: Gmelin:2122 "Gmelin" xref: KEGG:C00059 xref: KEGG:D05963 xref: KNApSAcK:C00007530 xref: MolBase:4 xref: PMID:13568755 "Europe PMC" xref: PMID:16122922 "Europe PMC" xref: PMID:19397353 "Europe PMC" xref: PMID:22047659 "Europe PMC" xref: PMID:22136045 "Europe PMC" xref: PMID:22204399 "Europe PMC" xref: PMID:22267186 "Europe PMC" xref: PMID:22296037 "Europe PMC" xref: PMID:22364556 "Europe PMC" xref: PMID:22435616 "Europe PMC" xref: Reaxys:2037554 "Reaxys" xref: Wikipedia:Sulfuric_acid is_a: CHEBI:33402 ! sulfur oxoacid relationship: has_role CHEBI:35223 ! catalyst relationship: is_conjugate_acid_of CHEBI:45696 ! hydrogensulfate [Term] id: CHEBI:26848 name: tannin namespace: chebi_ontology def: "Any of a group of astringent polyphenolic vegetable principles or compounds, chiefly complex glucosides of catechol and pyrogallol." [] subset: 3_STAR synonym: "tannins" RELATED [ChEBI] xref: colombos:TANNINE xref: Wikipedia:Tannin is_a: CHEBI:26195 ! polyphenol relationship: has_role CHEBI:74783 ! astringent [Term] id: CHEBI:26849 name: tartaric acid namespace: chebi_ontology subset: 3_STAR synonym: "(2R,3R)-rel-2,3-dihydroxybutanedioic acid" RELATED [ChemIDplus] synonym: "(2RS,3RS)-tartaric acid" RELATED [ChemIDplus] synonym: "(R*,R*)-(+-)-2,3-dihydroxybutanedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(R*,R*)-2,3-dihydroxybutanedioic acid" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.08684" RELATED MASS [ChEBI] synonym: "acide tartrique" RELATED [ChEBI] synonym: "acido tartarico" RELATED [ChEBI] synonym: "C4H6O6" RELATED FORMULA [ChEBI] synonym: "DL-tartaric acid" RELATED [ChemIDplus] synonym: "dl-tartaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "para-Weinsaeure" RELATED [ChEBI] synonym: "paratartaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "racemic acid" RELATED [ChemIDplus] synonym: "racemic tartaric acid" RELATED [ChemIDplus] synonym: "racemische Weinsaeure" RELATED [ChEBI] synonym: "rel-(2R,3R)-2,3-dihydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "resolvable tartaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "Traubensaeure" RELATED [ChemIDplus] synonym: "uvic acid" RELATED [ChemIDplus] synonym: "Vogesensaeure" RELATED [ChEBI] xref: Beilstein:1725148 "Beilstein" xref: Beilstein:6270431 "Beilstein" xref: CAS:133-37-9 "NIST Chemistry WebBook" xref: Gmelin:82691 "Gmelin" xref: PMID:24507823 "Europe PMC" xref: PMID:24556732 "Europe PMC" xref: YMDB:YMDB01788 is_a: CHEBI:15674 ! 2,3-dihydroxybutanedioic acid relationship: is_conjugate_acid_of CHEBI:35397 ! tartrate(1-) [Term] id: CHEBI:26873 name: terpenoid namespace: chebi_ontology def: "Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group." [] subset: 3_STAR synonym: "Terpenoid" EXACT [ChEBI] synonym: "terpenoide" RELATED [IUPAC] synonym: "terpenoides" RELATED [IUPAC] synonym: "terpenoids" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Terpenoid is_a: CHEBI:24913 ! isoprenoid relationship: has_parent_hydride CHEBI:35186 ! terpene [Term] id: CHEBI:26895 name: tetracyclines namespace: chebi_ontology def: "A subclass of polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups." [] subset: 3_STAR is_a: CHEBI:26188 ! polyketide relationship: has_parent_hydride CHEBI:32600 ! tetracene relationship: has_role CHEBI:25212 ! metabolite [Term] id: CHEBI:26912 name: oxolanes namespace: chebi_ontology def: "Any oxacycle having an oxolane (tetrahydrofuran) skeleton." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:26933 name: tetraric acid namespace: chebi_ontology subset: 3_STAR synonym: "tetraric acids" RELATED [ChEBI] is_a: CHEBI:22290 ! aldaric acid is_a: CHEBI:66873 ! C4-dicarboxylic acid [Term] id: CHEBI:26948 name: thiamine namespace: chebi_ontology subset: 3_STAR synonym: "thiamines" RELATED [ChEBI] is_a: CHEBI:38338 ! aminopyrimidine is_a: CHEBI:38418 ! 1,3-thiazole relationship: has_role CHEBI:75769 ! B vitamin [Term] id: CHEBI:26959 name: thiocarboxylic ester namespace: chebi_ontology def: "An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur." [] subset: 3_STAR synonym: "thiocarboxylic esters" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:35701 ! ester [Term] id: CHEBI:26977 name: thiosulfate namespace: chebi_ontology subset: 1_STAR synonym: "thiosulfates" RELATED [ChEBI] synonym: "thiosulphate" RELATED [ChEBI] xref: UM-BBD_compID:c0570 "ChEBI" is_a: CHEBI:37827 ! thiosulfuric acid derivative [Term] id: CHEBI:26979 name: organic heterotricyclic compound namespace: chebi_ontology def: "An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms." [] subset: 3_STAR synonym: "heterotricyclic compounds" RELATED [ChEBI] synonym: "organic heterotricyclic compounds" RELATED [ChEBI] is_a: CHEBI:36688 ! heterotricyclic compound is_a: CHEBI:38166 ! organic heteropolycyclic compound is_a: CHEBI:51959 ! organic tricyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26986 name: threonine namespace: chebi_ontology def: "An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group." [] subset: 3_STAR synonym: "C4H9NO3" RELATED FORMULA [ChEBI] synonym: "Threonin" RELATED [ChEBI] synonym: "threonine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8204750 "Beilstein" xref: CAS:80-68-2 "NIST Chemistry WebBook" xref: PMID:11379295 "Europe PMC" xref: PMID:15221503 "Europe PMC" xref: PMID:22264337 "Europe PMC" xref: Wikipedia:Threonine is_a: CHEBI:38263 ! 2-amino-3-hydroxybutanoic acid relationship: has_part CHEBI:50341 ! 1-hydroxyethyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32832 ! threoninate relationship: is_conjugate_base_of CHEBI:32833 ! threoninium [Term] id: CHEBI:26987 name: threonine derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of threonine at the amino group or the carboxy group, or from the replacement of any hydrogen of threonine by a heteroatom. The definition normally excludes peptides containing threonine residues." [] subset: 3_STAR synonym: "threonine derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:26986 ! threonine [Term] id: CHEBI:27024 name: toluenes namespace: chebi_ontology def: "Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes [Term] id: CHEBI:27026 name: toxin namespace: chebi_ontology def: "Poisonous substance produced by a biological organism such as a microbe, animal or plant." [] subset: 3_STAR synonym: "toxin" EXACT IUPAC_NAME [IUPAC] synonym: "toxins" RELATED [ChEBI] xref: Wikipedia:Toxin is_a: CHEBI:25212 ! metabolite is_a: CHEBI:64909 ! poison [Term] id: CHEBI:27027 name: micronutrient namespace: chebi_ontology subset: 1_STAR synonym: "micronutrients" RELATED [ChEBI] synonym: "trace elements" RELATED [ChEBI] is_a: CHEBI:33284 ! nutrient [Term] id: CHEBI:27081 name: transition element atom namespace: chebi_ontology def: "An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell." [] subset: 3_STAR synonym: "metal de transicion" RELATED [ChEBI] synonym: "metal de transition" RELATED [ChEBI] synonym: "metales de transicion" RELATED [ChEBI] synonym: "metaux de transition" RELATED [ChEBI] synonym: "transition element" EXACT IUPAC_NAME [IUPAC] synonym: "transition element" RELATED [ChEBI] synonym: "transition elements" RELATED [ChEBI] synonym: "transition metal" RELATED [ChEBI] synonym: "transition metals" RELATED [ChEBI] synonym: "Uebergangselement" RELATED [ChEBI] synonym: "Uebergangsmetalle" RELATED [ChEBI] is_a: CHEBI:33521 ! metal atom [Term] id: CHEBI:27082 name: trehalose namespace: chebi_ontology def: "A disaccharide formed by a (1<->1)-glycosidic bond between two units of D-glucose." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "342.116" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "342.29650" RELATED MASS [ChEBI] synonym: "C12H22O11" RELATED FORMULA [ChEBI] synonym: "HDTRYLNUVZCQOY-MFAKQEFJSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12?/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@H]1OC(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] is_a: CHEBI:131401 ! hexopyranosyl hexopyranoside [Term] id: CHEBI:27084 name: trehalose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "trehalose phosphates" RELATED [ChEBI] is_a: CHEBI:23843 ! disaccharide phosphate [Term] id: CHEBI:27092 name: tricarboxylic acid trianion namespace: chebi_ontology subset: 3_STAR synonym: "tricarboxylate" RELATED [ChEBI] synonym: "tricarboxylates" RELATED [ChEBI] synonym: "tricarboxylic acid trianions" RELATED [ChEBI] is_a: CHEBI:35753 ! tricarboxylic acid anion is_a: CHEBI:38717 ! carboxylic acid trianion [Term] id: CHEBI:27093 name: tricarboxylic acid namespace: chebi_ontology def: "An oxoacid containing three carboxy groups." [] subset: 3_STAR synonym: "C3H3O6R" RELATED FORMULA [ChEBI] synonym: "Tricarbonsaeure" RELATED [ChEBI] synonym: "tricarboxylic acids" RELATED [ChEBI] synonym: "Trikarbonsaeure" RELATED [ChEBI] xref: Wikipedia:Tricarboxylic_acid is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35753 ! tricarboxylic acid anion [Term] id: CHEBI:27114 name: trihydroxy-5beta-cholanic acid namespace: chebi_ontology subset: 3_STAR synonym: "C24H40O5" RELATED FORMULA [ChEBI] synonym: "trihydroxy-5beta-cholanic acids" RELATED [ChEBI] is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid [Term] id: CHEBI:27136 name: triol namespace: chebi_ontology def: "A chemical compound containing three hydroxy groups." [] subset: 3_STAR synonym: "triols" RELATED [ChEBI] is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:27137 name: triose namespace: chebi_ontology def: "A monosaccharide containing three carbon atoms, which is important in respiration. Only two trioses occur naturally: the aldotriose glyceraldehyde and the ketotriose dihydroxyacetone." [] subset: 3_STAR synonym: "triose" EXACT [ChEBI] synonym: "trioses" RELATED [ChEBI] is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:27150 name: trisaccharide namespace: chebi_ontology subset: 3_STAR synonym: "trisaccharides" RELATED [ChEBI] xref: Wikipedia:Trisaccharide is_a: CHEBI:50699 ! oligosaccharide [Term] id: CHEBI:27153 name: monoatomic trication namespace: chebi_ontology subset: 3_STAR synonym: "+3" RELATED CHARGE [ChEBI] synonym: "0.00000" RELATED MASS [ChEBI] synonym: "[*+3]" RELATED SMILES [ChEBI] synonym: "monoatomic trications" RELATED [ChEBI] synonym: "trivalent inorganic cations" RELATED [ChEBI] is_a: CHEBI:25430 ! monoatomic polycation is_a: CHEBI:64712 ! trivalent inorganic cation [Term] id: CHEBI:27171 name: organic heterobicyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterobicyclic compounds" RELATED [ChEBI] synonym: "organic heterobicyclic compounds" RELATED [ChEBI] is_a: CHEBI:33672 ! heterobicyclic compound is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:27175 name: tyramines namespace: chebi_ontology def: "Aralkylamino compounds which contain a tyramine skeleton." [] subset: 3_STAR is_a: CHEBI:33853 ! phenols is_a: CHEBI:64365 ! aralkylamino compound [Term] id: CHEBI:27207 name: univalent carboacyl group namespace: chebi_ontology def: "A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid." [] subset: 3_STAR synonym: "univalent acyl group" RELATED [ChEBI] synonym: "univalent carboacyl groups" RELATED [ChEBI] synonym: "univalent carboxylic acyl groups" RELATED [ChEBI] is_a: CHEBI:37838 ! carboacyl group [Term] id: CHEBI:27232 name: uridine 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "uridine 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:27237 ! uridine phosphate [Term] id: CHEBI:27237 name: uridine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "uridine phosphates" RELATED [ChEBI] is_a: CHEBI:25608 ! nucleoside phosphate is_a: CHEBI:27242 ! uridines [Term] id: CHEBI:27242 name: uridines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:39446 ! pyrimidine ribonucleosides relationship: has_functional_parent CHEBI:17568 ! uracil [Term] id: CHEBI:27252 name: uronic acid namespace: chebi_ontology def: "A carbohydrate acid formally derived by oxidation to a carboxy group of the terminal -CH2OH group of any aldose or ketose." [] subset: 3_STAR synonym: "uronic acid" EXACT [ChEBI] synonym: "uronic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:33720 ! carbohydrate acid is_a: CHEBI:35381 ! monosaccharide relationship: is_conjugate_acid_of CHEBI:33549 ! uronate [Term] id: CHEBI:27311 name: volatile oil component namespace: chebi_ontology def: "Any metabolite that is found naturally as a component of a volatile oil." [] subset: 3_STAR synonym: "essential oil component" RELATED [ChEBI] synonym: "essential oil components" RELATED [ChEBI] synonym: "ethereal oil component" RELATED [ChEBI] synonym: "ethereal oil components" RELATED [ChEBI] synonym: "volatile oil components" RELATED [ChEBI] xref: Wikipedia:Essential_oil is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:27314 name: water-soluble vitamin namespace: chebi_ontology subset: 3_STAR synonym: "wasserloesliche Vitamine" RELATED [ChEBI] synonym: "water-soluble vitamins" RELATED [ChEBI] is_a: CHEBI:33229 ! vitamin [Term] id: CHEBI:27363 name: zinc atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "30Zn" RELATED [IUPAC] synonym: "63.929" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "65.39000" RELATED MASS [ChEBI] synonym: "[Zn]" RELATED SMILES [ChEBI] synonym: "cinc" RELATED [ChEBI] synonym: "HCHKCACWOHOZIP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Zn" RELATED InChI [ChEBI] synonym: "zinc" EXACT IUPAC_NAME [IUPAC] synonym: "zinc" RELATED [ChEBI] synonym: "zincum" RELATED [ChEBI] synonym: "Zink" RELATED [ChEBI] synonym: "Zn" RELATED [IUPAC] synonym: "Zn" RELATED FORMULA [ChEBI] synonym: "Zn(II)" RELATED [KEGG_COMPOUND] synonym: "Zn2+" RELATED [KEGG_COMPOUND] xref: CAS:7440-66-6 "KEGG COMPOUND" xref: Gmelin:16321 "Gmelin" xref: KEGG:C00038 xref: PDBeChem:ZN xref: WebElements:Zn is_a: CHEBI:33340 ! zinc group element atom relationship: has_role CHEBI:27027 ! micronutrient [Term] id: CHEBI:27364 name: zinc molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc compounds" RELATED [ChEBI] synonym: "zinc molecular entities" RELATED [ChEBI] is_a: CHEBI:33673 ! zinc group molecular entity relationship: has_part CHEBI:27363 ! zinc atom [Term] id: CHEBI:27365 name: zinc ion namespace: chebi_ontology subset: 3_STAR synonym: "zinc ion" EXACT [ChEBI] synonym: "zinc ions" RELATED [ChEBI] is_a: CHEBI:24867 ! monoatomic ion is_a: CHEBI:37253 ! elemental zinc [Term] id: CHEBI:27369 name: zwitterion namespace: chebi_ontology def: "A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer)." [] subset: 3_STAR synonym: "compose zwitterionique" RELATED [IUPAC] synonym: "compuestos zwitterionicos" RELATED [IUPAC] synonym: "zwitterion" EXACT IUPAC_NAME [IUPAC] synonym: "zwitteriones" RELATED [IUPAC] synonym: "zwitterionic compounds" RELATED [IUPAC] synonym: "zwitterions" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51151 ! dipolar compound [Term] id: CHEBI:27376 name: methanesulfonic acid namespace: chebi_ontology alt_id: CHEBI:6813 def: "An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "95.988" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "96.10666" RELATED MASS [ChEBI] synonym: "AFVFQIVMOAPDHO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "CH4O3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "CS(O)(=O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)" RELATED InChI [ChEBI] synonym: "Methanesulfonic acid" EXACT [KEGG_COMPOUND] synonym: "methanesulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Methansulfonsaeure" RELATED [ChEBI] synonym: "methylsulfonic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1446024 "Beilstein" xref: CAS:75-75-2 "NIST Chemistry WebBook" xref: Gmelin:1681 "Gmelin" xref: KEGG:C11145 xref: MetaCyc:CPD-3746 xref: PMID:24304088 "Europe PMC" xref: PMID:24593036 "Europe PMC" xref: Reaxys:1446024 "Reaxys" xref: Wikipedia:Methanesulfonic_acid is_a: CHEBI:47901 ! alkanesulfonic acid is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:25224 ! methanesulfonate [Term] id: CHEBI:27405 name: streptidine namespace: chebi_ontology alt_id: CHEBI:26781 alt_id: CHEBI:9280 def: "An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine" RELATED [ChemIDplus] synonym: "1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "1,3-diguanidino-2,4,5,6-cyclohexanetetrol" RELATED [ChEBI] synonym: "262.139" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "262.26630" RELATED MASS [ChEBI] synonym: "C8H18N6O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3-,4+,5-,6-" RELATED InChI [ChEBI] synonym: "MSXMXWJPFIDEMT-FAEUDGQSSA-N" RELATED InChIKey [ChEBI] synonym: "N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "N,N'-bis(aminoiminomethyl)streptamine" RELATED [ChEBI] synonym: "N,N'-diamidinostreptamine" RELATED [ChEBI] synonym: "NC(=N)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "Streptamine, N,N'-bis(aminoiminomethyl)-" RELATED [ChemIDplus] synonym: "Streptidine" EXACT [KEGG_COMPOUND] xref: CAS:85-17-6 "KEGG COMPOUND" xref: KEGG:C00837 xref: MetaCyc:CPD-10148 xref: PMID:11642734 "Europe PMC" xref: PMID:15736038 "Europe PMC" xref: PMID:16956741 "Europe PMC" xref: PMID:17011831 "Europe PMC" xref: PMID:17609790 "Europe PMC" xref: PMID:6076630 "Europe PMC" xref: Reaxys:2816623 "Reaxys" is_a: CHEBI:24436 ! guanidines is_a: CHEBI:61689 ! amino cyclitol relationship: has_functional_parent CHEBI:10642 ! scyllo-inositol relationship: has_role CHEBI:25212 ! metabolite [Term] id: CHEBI:27504 name: mitomycin C namespace: chebi_ontology alt_id: CHEBI:25356 alt_id: CHEBI:6953 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "334.128" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "334.32720" RELATED MASS [ChEBI] synonym: "7-Amino-9alpha-methoxymitosane" RELATED [ChemIDplus] synonym: "[(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(N)=C(C)C4=O" RELATED SMILES [ChEBI] synonym: "Ametycine" RELATED [ChemIDplus] synonym: "C15H18N4O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1" RELATED InChI [ChEBI] synonym: "Mitocin-C" RELATED [ChemIDplus] synonym: "Mitomycin" RELATED [KEGG_COMPOUND] synonym: "Mitomycin C" EXACT [KEGG_COMPOUND] synonym: "MMC" RELATED [ChemIDplus] synonym: "Mutamycin" RELATED [ChemIDplus] synonym: "NWIBSHFKIJFRCO-WUDYKRTCSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:3570056 "Beilstein" xref: CAS:50-07-7 "KEGG COMPOUND" xref: colombos:MMC xref: Drug_Central:1819 "DrugCentral" xref: DrugBank:DB00305 xref: KEGG:C06681 xref: KEGG:D00208 xref: KNApSAcK:C00018668 xref: LINCS:LSM-6310 xref: Wikipedia:Mitomycin is_a: CHEBI:25357 ! mitomycin relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] id: CHEBI:27539 name: isatin namespace: chebi_ontology alt_id: CHEBI:24879 alt_id: CHEBI:43625 alt_id: CHEBI:5978 def: "An indoledione that is the 2,3-diketo derivative of indole." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "147.032" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.13080" RELATED MASS [ChEBI] synonym: "1H-indole-2,3-dione" EXACT IUPAC_NAME [IUPAC] synonym: "C8H5NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)" RELATED InChI [ChEBI] synonym: "indole-2,3-dione" RELATED [NIST_Chemistry_WebBook] synonym: "ISATIN" EXACT [PDBeChem] synonym: "Isatin" EXACT [KEGG_COMPOUND] synonym: "isatin" EXACT [UniProt] synonym: "JXDYKVIHCLTXOP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "O=C1Nc2ccccc2C1=O" RELATED SMILES [ChEBI] xref: Beilstein:383659 "Beilstein" xref: CAS:91-56-5 "KEGG COMPOUND" xref: colombos:ISTATIN xref: DrugBank:DB02095 xref: Gmelin:165206 "Gmelin" xref: KEGG:C11129 xref: KNApSAcK:C00026981 xref: MetaCyc:ISATIN xref: PDBeChem:ISN xref: PMID:15876476 "Europe PMC" xref: PMID:16236622 "Europe PMC" xref: PMID:1650428 "Europe PMC" xref: PMID:17330218 "Europe PMC" xref: PMID:17447419 "Europe PMC" xref: PMID:19834914 "Europe PMC" xref: PMID:23744416 "Europe PMC" xref: PMID:26846278 "Europe PMC" xref: PMID:9510091 "Europe PMC" xref: Reaxys:383659 "Reaxys" xref: Wikipedia:Isatin is_a: CHEBI:24793 ! indoledione relationship: has_role CHEBI:38623 ! EC 1.4.3.4 (monoamine oxidase) inhibitor relationship: has_role CHEBI:76924 ! plant metabolite [Term] id: CHEBI:27563 name: arsenic atom namespace: chebi_ontology alt_id: CHEBI:22630 alt_id: CHEBI:2845 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "33As" RELATED [IUPAC] synonym: "74.92160" RELATED MASS [ChEBI] synonym: "74.922" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[As]" RELATED SMILES [ChEBI] synonym: "Arsen" RELATED [ChemIDplus] synonym: "Arsenic" RELATED [KEGG_COMPOUND] synonym: "arsenic" EXACT IUPAC_NAME [IUPAC] synonym: "arsenic" RELATED [ChEBI] synonym: "arsenico" RELATED [ChEBI] synonym: "arsenicum" RELATED [ChEBI] synonym: "As" RELATED [KEGG_COMPOUND] synonym: "As" RELATED FORMULA [ChEBI] synonym: "InChI=1S/As" RELATED InChI [ChEBI] synonym: "RQNWIZPPADIBDY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7440-38-2 "KEGG COMPOUND" xref: KEGG:C06269 xref: WebElements:As is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:33300 ! pnictogen relationship: has_role CHEBI:27027 ! micronutrient [Term] id: CHEBI:27568 name: selenium atom namespace: chebi_ontology alt_id: CHEBI:26627 alt_id: CHEBI:9091 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "34Se" RELATED [IUPAC] synonym: "78.96000" RELATED MASS [ChEBI] synonym: "79.917" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Se]" RELATED SMILES [ChEBI] synonym: "BUGBHKTXTAQXES-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Se" RELATED InChI [ChEBI] synonym: "Se" RELATED FORMULA [KEGG_COMPOUND] synonym: "Se" RELATED [IUPAC] synonym: "Selen" RELATED [ChemIDplus] synonym: "selenio" RELATED [ChEBI] synonym: "Selenium" RELATED [KEGG_COMPOUND] synonym: "selenium" EXACT IUPAC_NAME [IUPAC] synonym: "selenium" RELATED [ChEBI] xref: CAS:7782-49-2 "ChemIDplus" xref: KEGG:C01529 xref: WebElements:Se is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: has_role CHEBI:27027 ! micronutrient [Term] id: CHEBI:27594 name: carbon atom namespace: chebi_ontology alt_id: CHEBI:23009 alt_id: CHEBI:3399 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "12.000" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "12.01070" RELATED MASS [ChEBI] synonym: "6C" RELATED [IUPAC] synonym: "[C]" RELATED SMILES [ChEBI] synonym: "C" RELATED [KEGG_COMPOUND] synonym: "C" RELATED [IUPAC] synonym: "C" RELATED FORMULA [ChEBI] synonym: "Carbon" RELATED [KEGG_COMPOUND] synonym: "carbon" EXACT IUPAC_NAME [IUPAC] synonym: "carbon" RELATED [ChEBI] synonym: "carbone" RELATED [ChEBI] synonym: "carbonium" RELATED [ChEBI] synonym: "carbono" RELATED [ChEBI] synonym: "InChI=1S/C" RELATED InChI [ChEBI] synonym: "Kohlenstoff" RELATED [ChEBI] synonym: "OKTJSMMVPCPJKN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7440-44-0 "KEGG COMPOUND" xref: KEGG:C06265 xref: WebElements:C is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33306 ! carbon group element atom relationship: has_role CHEBI:33937 ! macronutrient [Term] id: CHEBI:27612 name: hydantoin namespace: chebi_ontology alt_id: CHEBI:24625 alt_id: CHEBI:5773 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "100.027" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "100.07614" RELATED MASS [ChEBI] synonym: "2,4(3H,5H)-imidazoledione" RELATED [NIST_Chemistry_WebBook] synonym: "2,4-imidazolidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "C3H4N2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Glycolylurea" RELATED [KEGG_COMPOUND] synonym: "Hydantoin" EXACT [KEGG_COMPOUND] synonym: "imidazole-2,4(3H,5H)-dione" RELATED [ChemIDplus] synonym: "imidazolidine-2,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)" RELATED InChI [ChEBI] synonym: "O=C1CNC(=O)N1" RELATED SMILES [ChEBI] synonym: "WJRBRSLFGCUECM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:110598 "Beilstein" xref: CAS:461-72-3 "KEGG COMPOUND" xref: Gmelin:101266 "Gmelin" xref: KEGG:C05146 xref: PDBeChem:HYN is_a: CHEBI:24628 ! imidazolidine-2,4-dione [Term] id: CHEBI:27659 name: 2-oxo aldehyde namespace: chebi_ontology alt_id: CHEBI:1248 alt_id: CHEBI:13595 alt_id: CHEBI:19739 def: "Any aldehyde having an oxo substituent at the 2-position." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-oxo aldehydes" RELATED [ChEBI] synonym: "2-Oxoaldehyde" RELATED [KEGG_COMPOUND] synonym: "2-oxoaldehyde" RELATED [UniProt] synonym: "56.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "72.06270" RELATED MASS [ChEBI] synonym: "[H]C(=O)C(C)=O" RELATED SMILES [ChEBI] synonym: "C2HO2R" RELATED FORMULA [ChEBI] xref: KEGG:C00538 is_a: CHEBI:24960 ! ketoaldehyde [Term] id: CHEBI:27689 name: decanoate namespace: chebi_ontology alt_id: CHEBI:125804 alt_id: CHEBI:23570 def: "A fatty acid anion 10:0 that is the conjugate base of decanoic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "1-nonanecarboxylate" RELATED [ChEBI] synonym: "171.139" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "171.25670" RELATED MASS [ChEBI] synonym: "C10H19O2" RELATED FORMULA [ChEBI] synonym: "caprate" RELATED [ChEBI] synonym: "caprinate" RELATED [ChEBI] synonym: "caprynate" RELATED [ChEBI] synonym: "CCCCCCCCCC([O-])=O" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]8-COO(-)" RELATED [IUPAC] synonym: "decanoate" EXACT [UniProt] synonym: "decanoate" EXACT IUPAC_NAME [IUPAC] synonym: "decanoic acid anion" RELATED [ChEBI] synonym: "decoate" RELATED [ChEBI] synonym: "decylate" RELATED [ChEBI] synonym: "GHVNFZFCNZKVNT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1" RELATED InChI [ChEBI] synonym: "n-caprate" RELATED [ChEBI] synonym: "n-decanoate" RELATED [ChEBI] synonym: "n-decoate" RELATED [ChEBI] synonym: "n-decylate" RELATED [ChEBI] synonym: "nC9H19CO2 anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3538146 "Beilstein" xref: Gmelin:330643 "Gmelin" xref: KEGG:C01571 "ChEBI" xref: MetaCyc:CPD-3617 xref: Reaxys:3538146 "Reaxys" is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:59558 ! medium-chain fatty acid anion is_a: CHEBI:78118 ! fatty acid anion 10:0 relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30813 ! decanoic acid [Term] id: CHEBI:27744 name: glyphosate namespace: chebi_ontology alt_id: CHEBI:24423 alt_id: CHEBI:43013 alt_id: CHEBI:5510 def: "A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicdes worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS)." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "169.014" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "169.014" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "169.07310" RELATED MASS [ChEBI] synonym: "C3H8NO5P" RELATED FORMULA [KEGG_COMPOUND] synonym: "C3H8NO5P" RELATED FORMULA [ChEBI] synonym: "Glyphosate" EXACT [KEGG_COMPOUND] synonym: "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" RELATED InChI [ChEBI] synonym: "N-(phosphonomethyl)glycine" EXACT IUPAC_NAME [IUPAC] synonym: "OC(=O)CNCP(O)(O)=O" RELATED SMILES [ChEBI] synonym: "XDDAORKBJWWYJS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2045054 "Beilstein" xref: CAS:1071-83-6 "KEGG COMPOUND" xref: colombos:GLYPHOSATE xref: DrugBank:DB04539 xref: Gmelin:279222 "Gmelin" xref: KEGG:C01705 xref: PDBeChem:GPF xref: PDBeChem:GPJ xref: Pesticides:glyphosate "Alan Wood's Pesticides" xref: PMID:27758090 "Europe PMC" xref: PMID:28266132 "Europe PMC" xref: PMID:28474816 "Europe PMC" xref: PMID:28643882 "Europe PMC" xref: PMID:28711546 "Europe PMC" xref: UM-BBD_compID:c0134 "ChEBI" xref: Wikipedia:Glyphosate is_a: CHEBI:24373 ! glycine derivative is_a: CHEBI:44976 ! phosphonic acid relationship: has_role CHEBI:20569 ! EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: is_conjugate_acid_of CHEBI:133673 ! glyphosate(1-) relationship: is_conjugate_acid_of CHEBI:67052 ! glyphosate(2-) [Term] id: CHEBI:27780 name: detergent namespace: chebi_ontology alt_id: CHEBI:23648 alt_id: CHEBI:4456 def: "A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions." [] subset: 3_STAR synonym: "detergent" EXACT IUPAC_NAME [IUPAC] synonym: "Detergents" RELATED [KEGG_COMPOUND] xref: KEGG:C01689 is_a: CHEBI:33232 ! application is_a: CHEBI:35195 ! surfactant [Term] id: CHEBI:27869 name: chloroacetic acid namespace: chebi_ontology alt_id: CHEBI:23125 alt_id: CHEBI:3622 def: "A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-chloro-acetic acid" RELATED [LIPID_MAPS] synonym: "2-chloro-ethanoic acid" RELATED [LIPID_MAPS] synonym: "2-chloroacetic acid" RELATED [ChEBI] synonym: "93.982" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "94.49700" RELATED MASS [ChEBI] synonym: "Acide chloracetique" RELATED [ChemIDplus] synonym: "Acide chloroacetique" RELATED [ChemIDplus] synonym: "Acide monochloracetique" RELATED [ChemIDplus] synonym: "alpha-chloro-acetic acid" RELATED [ChEBI] synonym: "C2H3ClO2" RELATED FORMULA [ChEBI] synonym: "CAA" RELATED [ChEBI] synonym: "chloracetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Chloroacetic acid" EXACT [KEGG_COMPOUND] synonym: "chloroacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Chloroethanoic acid" RELATED [KEGG_COMPOUND] synonym: "FOCAUTSVDIKZOP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" RELATED InChI [ChEBI] synonym: "Monochloressigsaeure" RELATED [ChemIDplus] synonym: "monochloroacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "monochloroethanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "OC(=O)CCl" RELATED SMILES [ChEBI] xref: CAS:79-11-8 "NIST Chemistry WebBook" xref: HMDB:HMDB31331 xref: KEGG:C06755 xref: KEGG:D07677 xref: LIPID_MAPS_instance:LMFA01090068 "LIPID MAPS" xref: MetaCyc:CHLOROACETIC-ACID xref: PDBeChem:R3W xref: Pesticides:monochloroacetic%20acid "Alan Wood's Pesticides" xref: PMID:12359395 "Europe PMC" xref: PMID:15033542 "Europe PMC" xref: PMID:16647117 "Europe PMC" xref: PMID:17490874 "Europe PMC" xref: PMID:23103613 "Europe PMC" xref: PMID:25451595 "Europe PMC" xref: Reaxys:605438 "Reaxys" is_a: CHEBI:16277 ! haloacetic acid is_a: CHEBI:36685 ! chlorocarboxylic acid relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:24527 ! herbicide relationship: is_conjugate_acid_of CHEBI:23123 ! chloroacetate [Term] id: CHEBI:27897 name: tryptophan namespace: chebi_ontology alt_id: CHEBI:27163 alt_id: CHEBI:9769 def: "An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-amino-3-(1H-indol-3-yl)propanoic acid" RELATED [IUPAC] synonym: "204.090" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "204.22526" RELATED MASS [ChEBI] synonym: "alpha-Amino-beta-(3-indolyl)-propionic acid" RELATED [KEGG_COMPOUND] synonym: "alpha-amino-beta-3-indolepropionic acid" RELATED [ChEBI] synonym: "beta-3-indolylalanine" RELATED [ChEBI] synonym: "C11H12N2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Htrp" RELATED [IUPAC] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)" RELATED InChI [ChEBI] synonym: "NC(Cc1c[nH]c2ccccc12)C(O)=O" RELATED SMILES [ChEBI] synonym: "QIVBCDIJIAJPQS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "triptofano" RELATED [ChEBI] synonym: "Trp" RELATED [ChEBI] synonym: "Tryptophan" EXACT [KEGG_COMPOUND] synonym: "tryptophan" EXACT IUPAC_NAME [IUPAC] synonym: "tryptophane" RELATED [ChEBI] synonym: "W" RELATED [ChEBI] xref: Beilstein:86196 "Beilstein" xref: CAS:54-12-6 "NIST Chemistry WebBook" xref: colombos:TRYPTOPHAN xref: Gmelin:4532 "Gmelin" xref: KEGG:C00806 xref: KNApSAcK:C00001396 xref: LINCS:LSM-36836 xref: PMID:17439666 "Europe PMC" xref: PMID:22264337 "Europe PMC" xref: Reaxys:86196 "Reaxys" xref: Wikipedia:Tryptophan is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid is_a: CHEBI:38631 ! aminoalkylindole relationship: has_part CHEBI:50337 ! 1H-indol-3-ylmethyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32727 ! tryptophanate relationship: is_conjugate_base_of CHEBI:32728 ! tryptophanium relationship: is_tautomer_of CHEBI:64554 ! tryptophan zwitterion [Term] id: CHEBI:27899 name: cisplatin namespace: chebi_ontology alt_id: CHEBI:23314 alt_id: CHEBI:3722 def: "A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary." [] subset: 3_STAR synonym: "(SP-4-2)-diamminedichloridoplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "(SP-4-2)-diamminedichloroplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "298.956" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "298.956" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "300.04452" RELATED MASS [ChEBI] synonym: "[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H]" RELATED SMILES [ChEBI] synonym: "[PtCl2(NH3)2]" RELATED [KEGG_COMPOUND] synonym: "Briplatin" RELATED BRAND_NAME [ChemIDplus] synonym: "CDDP" RELATED [KEGG_COMPOUND] synonym: "cis-[PtCl2(NH3)2]" RELATED [MolBase] synonym: "cis-DDP" RELATED [ChemIDplus] synonym: "cis-diamminedichloridoplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "cis-diamminedichloroplatinum" RELATED [ChemIDplus] synonym: "cis-Diamminedichloroplatinum(II)" RELATED [KEGG_COMPOUND] synonym: "cis-diamminedichloroplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "cis-diammineplatinum(II) dichloride" RELATED [ChemIDplus] synonym: "cis-dichlorodiammineplatinum(II)" RELATED [ChemIDplus] synonym: "cis-platin" RELATED [ChEBI] synonym: "Cismaplat" RELATED BRAND_NAME [DrugBank] synonym: "Cisplatin" EXACT [KEGG_COMPOUND] synonym: "cisplatin" RELATED INN [ChemIDplus] synonym: "cisplatine" RELATED INN [ChemIDplus] synonym: "cisplatino" RELATED INN [ChemIDplus] synonym: "cisplatinum" RELATED INN [ChemIDplus] synonym: "Cl2H6N2Pt" RELATED FORMULA [ChEBI] synonym: "H6Cl2N2Pt" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2" RELATED InChI [ChEBI] synonym: "Lederplatin" RELATED BRAND_NAME [DrugBank] synonym: "LXZZYRPGZAFOLE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "Neoplatin" RELATED BRAND_NAME [DrugBank] synonym: "Peyrone's chloride" RELATED [ChemIDplus] synonym: "Peyrone's salt" RELATED [ChEBI] synonym: "Platamine" RELATED [DrugBank] synonym: "Platinex" RELATED BRAND_NAME [DrugBank] synonym: "Platinol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Randa" RELATED BRAND_NAME [DrugBank] xref: CAS:15663-27-1 "KEGG COMPOUND" xref: colombos:CISPLATIN xref: DrugBank:DB00515 xref: Gmelin:2519 "Gmelin" xref: HMDB:HMDB14656 xref: KEGG:C06911 xref: KEGG:D00275 xref: MetaCyc:CPD0-1392 xref: MolBase:25 xref: Patent:DE2318020 xref: Patent:DE2329485 xref: PMID:10883661 "Europe PMC" xref: PMID:12537968 "Europe PMC" xref: PMID:12831510 "Europe PMC" xref: PMID:12935404 "Europe PMC" xref: PMID:16327988 "Europe PMC" xref: PMID:18472761 "Europe PMC" xref: PMID:1855275 "Europe PMC" xref: PMID:23554447 "Europe PMC" xref: PMID:23604226 "Europe PMC" xref: PMID:23651576 "Europe PMC" xref: Reaxys:11324567 "Reaxys" xref: Wikipedia:Cisplatin is_a: CHEBI:51214 ! diamminedichloroplatinum relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:47868 ! photosensitizing agent relationship: has_role CHEBI:50684 ! cross-linking reagent relationship: has_role CHEBI:61015 ! nephrotoxin [Term] id: CHEBI:27902 name: tetracycline namespace: chebi_ontology alt_id: CHEBI:26894 alt_id: CHEBI:45729 alt_id: CHEBI:9474 def: "A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria." [] subset: 3_STAR synonym: "(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide" RELATED [ChemIDplus] synonym: "(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "444.153" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "444.43460" RELATED MASS [ChEBI] synonym: "[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C" RELATED SMILES [ChEBI] synonym: "Abramycin" RELATED [ChemIDplus] synonym: "Achromycin" RELATED [ChEBI] synonym: "Anhydrotetracycline" RELATED [DrugBank] synonym: "C22H24N2O8" RELATED FORMULA [KEGG_COMPOUND] synonym: "Deschlorobiomycin" RELATED [ChemIDplus] synonym: "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1" RELATED InChI [ChEBI] synonym: "Liquamycin" RELATED [ChemIDplus] synonym: "OFVLGDICTFRJMM-WESIUVDSSA-N" RELATED InChIKey [ChEBI] synonym: "Tetracyclin" RELATED [ChEBI] synonym: "TETRACYCLINE" EXACT [PDBeChem] synonym: "Tetracycline" EXACT [KEGG_COMPOUND] synonym: "tetracycline" EXACT [ChEBI] synonym: "tetracycline" RELATED INN [ChemIDplus] synonym: "tetracyclinum" RELATED INN [ChemIDplus] synonym: "Tetrazyklin" RELATED [ChEBI] synonym: "Tsiklomitsin" RELATED [ChemIDplus] xref: Beilstein:2230417 "Beilstein" xref: CAS:60-54-8 "KEGG COMPOUND" xref: colombos:TETRACYCLINE xref: Drug_Central:2611 "DrugCentral" xref: DrugBank:DB00759 xref: Gmelin:1103368 "Gmelin" xref: KEGG:C06570 xref: KEGG:D00201 xref: MetaCyc:CPD0-1414 xref: Patent:US2699054 xref: Patent:US2712517 xref: Patent:US2886595 xref: Patent:US3005023 xref: Patent:US3019173 xref: Patent:US3301899 xref: PDBeChem:TAC xref: PMID:11061623 "Europe PMC" xref: PMID:11550419 "Europe PMC" xref: PMID:11744940 "Europe PMC" xref: PMID:12934399 "Europe PMC" xref: PMID:14585720 "Europe PMC" xref: PMID:15825421 "Europe PMC" xref: PMID:15913752 "Europe PMC" xref: PMID:16443056 "Europe PMC" xref: PMID:1650428 "Europe PMC" xref: PMID:16749547 "Europe PMC" xref: PMID:17251127 "Europe PMC" xref: PMID:17260506 "Europe PMC" xref: PMID:18326855 "Europe PMC" xref: PMID:18406588 "Europe PMC" xref: PMID:19032078 "Europe PMC" xref: PMID:19112759 "Europe PMC" xref: PMID:19136803 "Europe PMC" xref: PMID:25286144 "Europe PMC" xref: PMID:26876942 "Europe PMC" xref: Reaxys:2230417 "Reaxys" xref: Wikipedia:Tetracycline is_a: CHEBI:26895 ! tetracyclines relationship: has_role CHEBI:35820 ! antiprotozoal drug relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:71392 ! tetracycline(1-) relationship: is_conjugate_acid_of CHEBI:77932 ! tetracycline zwitterion [Term] id: CHEBI:27933 name: beta-lactam antibiotic namespace: chebi_ontology alt_id: CHEBI:10427 alt_id: CHEBI:22844 def: "An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring." [] subset: 3_STAR synonym: "beta-Lactam antibiotics" RELATED [KEGG_COMPOUND] synonym: "beta-lactam antibiotics" RELATED [ChEBI] xref: KEGG:C03438 xref: PMID:19254642 "Europe PMC" xref: PMID:22594007 "Europe PMC" xref: Wikipedia:Beta-lactam_antibiotic is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic is_a: CHEBI:35627 ! beta-lactam [Term] id: CHEBI:27955 name: streptamine namespace: chebi_ontology alt_id: CHEBI:26779 alt_id: CHEBI:9277 def: "An amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups." [] subset: 3_STAR synonym: "(1R,2r,3S,4R,5s,6S)-4,6-diaminocyclohexane-1,2,3,5-tetrol" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,3-diamino-1,3-dideoxy-scyllo-inositol" EXACT IUPAC_NAME [IUPAC] synonym: "178.095" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "178.095" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "178.18640" RELATED MASS [ChEBI] synonym: "ANLMVXSIPASBFL-FAEUDGQSSA-N" RELATED InChIKey [ChEBI] synonym: "C6H14N2O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "C6H14N2O4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N2O4/c7-1-3(9)2(8)5(11)6(12)4(1)10/h1-6,9-12H,7-8H2/t1-,2+,3-,4+,5-,6-" RELATED InChI [ChEBI] synonym: "N[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "Streptamine" EXACT [KEGG_COMPOUND] xref: Beilstein:26714 "Beilstein" xref: CAS:488-52-8 "KEGG COMPOUND" xref: KEGG:C01854 xref: Reaxys:2802452 "Reaxys" is_a: CHEBI:61689 ! amino cyclitol relationship: has_functional_parent CHEBI:10642 ! scyllo-inositol [Term] id: CHEBI:27998 name: tungsten namespace: chebi_ontology alt_id: CHEBI:27170 alt_id: CHEBI:9779 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "183.84000" RELATED MASS [ChEBI] synonym: "183.951" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "74W" RELATED [IUPAC] synonym: "[W]" RELATED SMILES [ChEBI] synonym: "InChI=1S/W" RELATED InChI [ChEBI] synonym: "Tungsten" EXACT [KEGG_COMPOUND] synonym: "tungsten" EXACT IUPAC_NAME [IUPAC] synonym: "tungsten atom" RELATED [ChEBI] synonym: "tungstene" RELATED [ChEBI] synonym: "tungsteno" RELATED [ChEBI] synonym: "volframio" RELATED [ChEBI] synonym: "W" RELATED FORMULA [KEGG_COMPOUND] synonym: "W" RELATED [IUPAC] synonym: "WFKWXMTUELFFGS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Wolfram" RELATED [NIST_Chemistry_WebBook] synonym: "wolfram" EXACT IUPAC_NAME [IUPAC] synonym: "wolframio" RELATED [ChEBI] synonym: "wolframium" RELATED [ChEBI] xref: CAS:7440-33-7 "KEGG COMPOUND" xref: Gmelin:16317 "Gmelin" xref: KEGG:C00753 xref: PDBeChem:W xref: WebElements:W is_a: CHEBI:33350 ! chromium group element atom relationship: has_role CHEBI:27027 ! micronutrient [Term] id: CHEBI:28024 name: cyanic acid namespace: chebi_ontology alt_id: CHEBI:23422 alt_id: CHEBI:3968 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "43.006" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "43.02478" RELATED MASS [ChEBI] synonym: "[C(N)OH]" RELATED [IUPAC] synonym: "CHNO" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cyanic acid" EXACT [KEGG_COMPOUND] synonym: "Cyansaeure" RELATED [ChEBI] synonym: "HOCN" RELATED [IUPAC] synonym: "hydrogen nitridooxocarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidonitridocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/CHNO/c2-1-3/h3H" RELATED InChI [ChEBI] synonym: "nitridooxocarbonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "OC#N" RELATED SMILES [ChEBI] synonym: "XLJMAIOERFSOGZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Zyansaeure" RELATED [ChEBI] xref: Beilstein:1732479 "Beilstein" xref: CAS:420-05-3 "NIST Chemistry WebBook" xref: CAS:71000-82-3 "KEGG COMPOUND" xref: Gmelin:839 "Gmelin" xref: KEGG:C01417 is_a: CHEBI:23423 ! pseudohalogen oxoacid is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:29195 ! cyanate relationship: is_tautomer_of CHEBI:29202 ! isocyanic acid [Term] id: CHEBI:28044 name: phenylalanine namespace: chebi_ontology alt_id: CHEBI:25984 alt_id: CHEBI:8089 def: "An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "165.079" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "165.18918" RELATED MASS [ChEBI] synonym: "2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "C9H11NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "COLNVLDHVKWLRT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "DL-Phenylalanine" RELATED [KEGG_COMPOUND] synonym: "F" RELATED [ChEBI] synonym: "fenilalanina" RELATED [ChEBI] synonym: "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)" RELATED InChI [ChEBI] synonym: "NC(Cc1ccccc1)C(O)=O" RELATED SMILES [ChEBI] synonym: "PHE" RELATED [ChEBI] synonym: "Phenylalanin" RELATED [ChEBI] synonym: "Phenylalanine" EXACT [KEGG_COMPOUND] synonym: "phenylalanine" EXACT [ChEBI] synonym: "phenylalanine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1910407 "Beilstein" xref: CAS:150-30-1 "NIST Chemistry WebBook" xref: Gmelin:50836 "Gmelin" xref: KEGG:C02057 xref: PMID:17439666 "Europe PMC" xref: PMID:22264337 "Europe PMC" xref: Reaxys:1910407 "Reaxys" xref: Wikipedia:Phenylalanine is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid relationship: has_part CHEBI:22744 ! benzyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32504 ! phenylalaninate relationship: is_conjugate_base_of CHEBI:32505 ! phenylalaninium [Term] id: CHEBI:28053 name: melibiose namespace: chebi_ontology alt_id: CHEBI:20943 alt_id: CHEBI:25182 alt_id: CHEBI:60170 alt_id: CHEBI:6733 def: "A glycosylglucose formed by an alpha-(1->6)-linkage between D-galactose and D-glucose." [] subset: 3_STAR synonym: "(Gal)1 (Glc)1" RELATED [KEGG_GLYCAN] synonym: "0" RELATED CHARGE [ChEBI] synonym: "342.116" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "342.116" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "342.29650" RELATED MASS [ChEBI] synonym: "6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "6-O-alpha-D-galactopyranosyl-D-glucopyranose" RELATED [IUPAC] synonym: "alpha-D-Gal-(1->6)-D-Glc" RELATED [ChEBI] synonym: "alpha-D-galactopyranosyl-(1->6)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-galactosyl-(1->6)-D-glucose" RELATED [ChEBI] synonym: "alpha-D-Galp-(1->6)-D-Glcp" RELATED [ChEBI] synonym: "C12H22O11" RELATED FORMULA [KEGG_COMPOUND] synonym: "C12H22O11" RELATED FORMULA [ChEBI] synonym: "D-Melibiose" RELATED [ChemIDplus] synonym: "D-mellibiose" RELATED [ChEBI] synonym: "DLRVVLDZNNYCBX-ABXHMFFYSA-N" RELATED InChIKey [ChEBI] synonym: "Gal-alpha(1,6)Glc" RELATED [ChEBI] synonym: "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1" RELATED InChI [ChEBI] synonym: "Melibiose" EXACT [KEGG_COMPOUND] synonym: "melibiose" EXACT [UniProt] synonym: "OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] xref: Beilstein:1292781 "Beilstein" xref: CAS:585-99-9 "ChemIDplus" xref: Gmelin:887780 "Gmelin" xref: HMDB:HMDB00048 xref: KEGG:C05402 xref: KEGG:G01275 xref: KNApSAcK:C00001142 xref: MetaCyc:MELIBIOSE xref: PMID:12797744 "Europe PMC" xref: PMID:17006649 "Europe PMC" xref: PMID:17724458 "Europe PMC" xref: PMID:19846069 "Europe PMC" xref: PMID:19913595 "Europe PMC" xref: PMID:3290105 "Europe PMC" xref: PMID:718021 "Europe PMC" xref: PMID:7524207 "Europe PMC" xref: Reaxys:1292781 "Reaxys" xref: Wikipedia:Melibiose is_a: CHEBI:24405 ! glycosylglucose relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:91139 ! elastin-laminin receptor agonist [Term] id: CHEBI:28077 name: rifampicin namespace: chebi_ontology alt_id: CHEBI:26577 alt_id: CHEBI:45308 alt_id: CHEBI:8858 def: "A member of the class of rifamycins that is a a semisynthetic antibiotic derived from Amycolatopsis rifamycinica (previously known as Amycolatopsis mediterranei and Streptomyces mediterranei)" [] subset: 3_STAR synonym: "(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV" RELATED [ChemIDplus] synonym: "822.405" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "822.94020" RELATED MASS [ChEBI] synonym: "C43H58N4O12" RELATED FORMULA [KEGG_COMPOUND] synonym: "CO[C@H]1\\C=C\\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\\C=N\\N1CCN(C)CC1)c(O)c4c3C2=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1" RELATED InChI [ChEBI] synonym: "JQXXHWHPUNPDRT-WLSIYKJHSA-N" RELATED InChIKey [ChEBI] synonym: "RFP" RELATED [DrugBank] synonym: "rifamcin" RELATED [ChEBI] synonym: "Rifampicin" EXACT [KEGG_COMPOUND] synonym: "rifampicin" RELATED INN [KEGG_DRUG] synonym: "rifampicina" RELATED INN [DrugBank] synonym: "rifampicinum" RELATED INN [DrugBank] synonym: "Rifampin" RELATED [KEGG_COMPOUND] xref: Beilstein:5723476 "Beilstein" xref: CAS:13292-46-1 "KEGG COMPOUND" xref: colombos:RIFAMPICIN xref: DrugBank:DB01045 xref: HMDB:HMDB15179 xref: KEGG:C06688 xref: KEGG:D00211 xref: Patent:NL6509961 xref: Patent:US3342810 xref: PDBeChem:RFP xref: PMID:11600355 "Europe PMC" xref: PMID:14665784 "Europe PMC" xref: PMID:14670633 "Europe PMC" xref: PMID:15331348 "Europe PMC" xref: PMID:15383168 "Europe PMC" xref: PMID:15705662 "Europe PMC" xref: PMID:16159084 "Europe PMC" xref: PMID:16515773 "Europe PMC" xref: PMID:17828712 "Europe PMC" xref: PMID:18332862 "Europe PMC" xref: PMID:19386087 "Europe PMC" xref: PMID:19458074 "Europe PMC" xref: PMID:19723399 "Europe PMC" xref: PMID:24718527 "Europe PMC" xref: PMID:26725427 "Europe PMC" xref: PMID:26819743 "Europe PMC" xref: PMID:27082586 "Europe PMC" xref: PMID:27143080 "Europe PMC" xref: PMID:27182275 "Europe PMC" xref: PMID:27242224 "Europe PMC" xref: PMID:27470132 "Europe PMC" xref: PMID:27569735 "Europe PMC" xref: PMID:27617596 "Europe PMC" xref: PMID:27640793 "Europe PMC" xref: PMID:27755552 "Europe PMC" xref: PMID:27795624 "Europe PMC" xref: PMID:27883163 "Europe PMC" xref: PMID:27965540 "Europe PMC" xref: PMID:27993874 "Europe PMC" xref: PMID:28081169 "Europe PMC" xref: PMID:28118809 "Europe PMC" xref: PMID:28181840 "Europe PMC" xref: PMID:28184157 "Europe PMC" xref: PMID:28207542 "Europe PMC" xref: PMID:28262820 "Europe PMC" xref: Reaxys:5723476 "Reaxys" xref: Wikipedia:Rifampicin is_a: CHEBI:26580 ! rifamycins is_a: CHEBI:38532 ! hydrazone is_a: CHEBI:46847 ! N-iminopiperazine is_a: CHEBI:46920 ! N-methylpiperazine is_a: CHEBI:59779 ! cyclic ketal is_a: CHEBI:72588 ! semisynthetic derivative relationship: has_role CHEBI:33231 ! antitubercular agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35816 ! leprostatic drug relationship: has_role CHEBI:37416 ! EC 2.7.7.6 (RNA polymerase) inhibitor relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:48422 ! angiogenesis inhibitor relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: has_role CHEBI:63726 ! neuroprotective agent relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77318 ! pregnane X receptor agonist relationship: is_tautomer_of CHEBI:71365 ! rifampicin zwitterion [Term] id: CHEBI:28098 name: kanamycin B namespace: chebi_ontology alt_id: CHEBI:14489 alt_id: CHEBI:24948 alt_id: CHEBI:24949 alt_id: CHEBI:6107 subset: 3_STAR synonym: "(1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "2'-amino-2'-deoxykanamycin" RELATED [ChemIDplus] synonym: "483.254" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "483.51390" RELATED MASS [ChEBI] synonym: "Bekanamycin" RELATED [KEGG_COMPOUND] synonym: "C18H37N5O10" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1" RELATED InChI [ChEBI] synonym: "Kanamycin B" EXACT [KEGG_COMPOUND] synonym: "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "Nebramycin factor 5" RELATED [KEGG_COMPOUND] synonym: "Nebramycin V" RELATED [ChemIDplus] synonym: "O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->6))-2-deoxy-D-streptamine" RELATED [ChemIDplus] synonym: "SKKLOUVUUNMCJE-FQSMHNGLSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:61646 "Beilstein" xref: CAS:4696-76-8 "KEGG COMPOUND" xref: Drug_Central:1520 "DrugCentral" xref: KEGG:C00825 xref: KEGG:D07497 xref: KNApSAcK:C00018692 xref: PDBeChem:9CS is_a: CHEBI:24951 ! kanamycins relationship: is_conjugate_base_of CHEBI:58549 ! kanamycin B(5+) [Term] id: CHEBI:28112 name: nickel atom namespace: chebi_ontology alt_id: CHEBI:25515 alt_id: CHEBI:7552 def: "Chemical element (nickel group element atom) with atomic number 28." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "28Ni" RELATED [IUPAC] synonym: "57.935" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "58.69340" RELATED MASS [ChEBI] synonym: "[Ni]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Ni" RELATED InChI [ChEBI] synonym: "Ni" RELATED [IUPAC] synonym: "Ni" RELATED FORMULA [KEGG_COMPOUND] synonym: "niccolum" RELATED [ChEBI] synonym: "Nickel" RELATED [ChEBI] synonym: "nickel" EXACT IUPAC_NAME [IUPAC] synonym: "nickel" RELATED [ChEBI] synonym: "niquel" RELATED [ChEBI] synonym: "PXHVJJICTQNCMI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Raney alloy" RELATED [ChemIDplus] xref: CAS:7440-02-0 "NIST Chemistry WebBook" xref: Gmelin:16229 "Gmelin" xref: KEGG:C00291 xref: PMID:12756270 "Europe PMC" xref: PMID:14634084 "Europe PMC" xref: PMID:14734778 "Europe PMC" xref: PMID:15165199 "Europe PMC" xref: PMID:19828094 "Europe PMC" xref: PMID:20477134 "Europe PMC" xref: PMID:22762130 "Europe PMC" xref: PMID:23142754 "Europe PMC" xref: PMID:23317102 "Europe PMC" xref: PMID:23692032 "Europe PMC" xref: PMID:23692035 "Europe PMC" xref: PMID:23723488 "Europe PMC" xref: PMID:23834453 "Europe PMC" xref: PMID:23857010 "Europe PMC" xref: PMID:23895079 "Europe PMC" xref: PMID:23909687 "Europe PMC" xref: PMID:9060994 "Europe PMC" xref: PMID:9886425 "Europe PMC" xref: Reaxys:4122946 "Reaxys" xref: WebElements:Ni xref: Wikipedia:Nickel is_a: CHEBI:33362 ! nickel group element atom is_a: CHEBI:88184 ! metal allergen relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:53000 ! epitope [Term] id: CHEBI:28159 name: D-asparagine namespace: chebi_ontology alt_id: CHEBI:20918 alt_id: CHEBI:4107 def: "An optically active form of asparagine having D-configuration." [] subset: 3_STAR synonym: "(2R)-2,4-diamino-4-oxobutanoic acid" RELATED [IUPAC] synonym: "(2R)-2-amino-3-carbamoylpropanoic acid" RELATED [JCBN] synonym: "(R)-2-amino-3-carbamoylpropanoic acid" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "132.053" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "132.11800" RELATED MASS [ChEBI] synonym: "C4H8N2O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-2-aminosuccinamic acid" RELATED [ChEBI] synonym: "D-Asparagin" RELATED [ChEBI] synonym: "D-Asparagine" EXACT [KEGG_COMPOUND] synonym: "D-asparagine" EXACT IUPAC_NAME [IUPAC] synonym: "D-aspartic acid beta-amide" RELATED [ChEBI] synonym: "DCXYFEDJOCDNAF-UWTATZPHSA-N" RELATED InChIKey [ChEBI] synonym: "DSG" RELATED [PDBeChem] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](CC(N)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1723526 "Beilstein" xref: CAS:2058-58-4 "KEGG COMPOUND" xref: DrugBank:DB03943 xref: Gmelin:101784 "Gmelin" xref: HMDB:HMDB33780 xref: KEGG:C01905 xref: MetaCyc:CPD-3633 xref: Patent:CN101333175 xref: PDBeChem:DSG xref: PMID:767332 "Europe PMC" xref: Reaxys:1723526 "Reaxys" xref: YMDB:YMDB00849 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:22653 ! asparagine relationship: is_conjugate_acid_of CHEBI:32656 ! D-asparaginate relationship: is_conjugate_base_of CHEBI:32657 ! D-asparaginium relationship: is_enantiomer_of CHEBI:17196 ! L-asparagine relationship: is_tautomer_of CHEBI:74337 ! D-asparagine zwitterion [Term] id: CHEBI:28163 name: iron(III) hydroxamate namespace: chebi_ontology alt_id: CHEBI:21131 alt_id: CHEBI:4992 def: "A complex between iron(III) and three hydroxamic acid groups, used for iron transport." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "232.91700" RELATED MASS [ChEBI] synonym: "232.937" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]C1=[O][Fe]234(ON1)ONC([*])=[O]2.[*]C(NO3)=[O]4" RELATED SMILES [ChEBI] synonym: "C3H3FeN3O6R3" RELATED FORMULA [ChEBI] synonym: "Fe(III) hydroxamate" RELATED [ChEBI] synonym: "Fe(III) hydroxamates" RELATED [ChEBI] synonym: "Fe(III)hydroxamate" RELATED [KEGG_COMPOUND] synonym: "Fe(III)hydroxamic acid" RELATED [KEGG_COMPOUND] synonym: "iron(III) hydroxamates" RELATED [ChEBI] xref: KEGG:C06227 is_a: CHEBI:5975 ! iron chelate relationship: has_part CHEBI:24648 ! hydroxamic acid anion relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:28185 name: kanamycin C namespace: chebi_ontology alt_id: CHEBI:24950 alt_id: CHEBI:6108 subset: 3_STAR synonym: "(1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "484.238" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "484.49880" RELATED MASS [ChEBI] synonym: "C18H36N4O11" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1" RELATED InChI [ChEBI] synonym: "Kanamycin C" EXACT [KEGG_COMPOUND] synonym: "N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N" RELATED SMILES [ChEBI] synonym: "WZDRWYJKESFZMB-FQSMHNGLSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:61645 "Beilstein" xref: CAS:2280-32-2 "ChemIDplus" xref: KEGG:C01823 xref: KNApSAcK:C00018690 xref: MetaCyc:CPD-4823 xref: PDBeChem:KNC is_a: CHEBI:24951 ! kanamycins relationship: is_conjugate_base_of CHEBI:72755 ! kanamycin C(4+) [Term] id: CHEBI:28260 name: galactose namespace: chebi_ontology alt_id: CHEBI:24162 alt_id: CHEBI:33933 alt_id: CHEBI:5256 def: "An aldohexose that is the C-4 epimer of glucose." [] subset: 3_STAR synonym: "C6H12O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "Gal" RELATED [JCBN] synonym: "galacto-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "Galactose" EXACT [KEGG_COMPOUND] synonym: "galactose" EXACT IUPAC_NAME [IUPAC] synonym: "Galaktose" RELATED [ChEBI] xref: CAS:26566-61-0 "NIST Chemistry WebBook" xref: colombos:GALACTOSE xref: KEGG:C01582 xref: Wikipedia:Galactose is_a: CHEBI:33917 ! aldohexose relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:28262 name: dimethyl sulfoxide namespace: chebi_ontology alt_id: CHEBI:23801 alt_id: CHEBI:42138 alt_id: CHEBI:4612 def: "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents." [] subset: 3_STAR synonym: "(CH3)2SO" RELATED [NIST_Chemistry_WebBook] synonym: "(methanesulfinyl)methane" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "78.014" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "78.13444" RELATED MASS [ChEBI] synonym: "C2H6OS" RELATED FORMULA [KEGG_COMPOUND] synonym: "CS(C)=O" RELATED SMILES [ChEBI] synonym: "DIMETHYL SULFOXIDE" EXACT [PDBeChem] synonym: "Dimethyl sulfoxide" EXACT [KEGG_COMPOUND] synonym: "dimethyl sulfoxide" EXACT [UniProt] synonym: "dimethyl sulfoxide" EXACT IUPAC_NAME [IUPAC] synonym: "dimethyl sulfoxide" RELATED INN [ChemIDplus] synonym: "dimethyl sulfur oxide" RELATED [NIST_Chemistry_WebBook] synonym: "dimethyl sulphoxide" RELATED [ChemIDplus] synonym: "dimethyli sulfoxidum" RELATED INN [ChemIDplus] synonym: "Dimethylsulfoxid" RELATED [ChEBI] synonym: "dimethylsulfoxyde" RELATED INN [ChemIDplus] synonym: "dimetil sulfoxido" RELATED INN [ChemIDplus] synonym: "DMSO" RELATED [KEGG_COMPOUND] synonym: "dmso" RELATED [IUPAC] synonym: "IAZDPXIOMUYVGZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" RELATED InChI [ChEBI] synonym: "methylsulfinylmethane" RELATED [ChemIDplus] synonym: "S(O)Me2" RELATED [ChEBI] synonym: "sulfinylbis(methane)" RELATED [ChemIDplus] xref: Beilstein:506008 "Beilstein" xref: CAS:67-68-5 "KEGG COMPOUND" xref: colombos:DMSO xref: Drug_Central:906 "DrugCentral" xref: DrugBank:DB01093 xref: Gmelin:1556 "Gmelin" xref: HMDB:HMDB02151 xref: KEGG:C11143 xref: KEGG:D01043 xref: LINCS:LSM-36361 xref: PDBeChem:DMS xref: PMID:11162043 "Europe PMC" xref: PMID:11350866 "Europe PMC" xref: PMID:15237653 "Europe PMC" xref: PMID:15588915 "Europe PMC" xref: PMID:15868171 "Europe PMC" xref: PMID:16434015 "Europe PMC" xref: PMID:19096138 "Europe PMC" xref: PMID:19382398 "Europe PMC" xref: PMID:21426213 "Europe PMC" xref: PMID:22030943 "Europe PMC" xref: PMID:22722716 "Europe PMC" xref: PMID:22768202 "Europe PMC" xref: PMID:22814967 "Europe PMC" xref: Reaxys:506008 "Reaxys" xref: UM-BBD_compID:c0236 "UM-BBD" xref: Wikipedia:Dimethyl_Sulfoxide is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:22063 ! sulfoxide relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:37335 ! MRI contrast agent relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:50247 ! antidote relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:28300 name: glutamine namespace: chebi_ontology alt_id: CHEBI:24316 alt_id: CHEBI:5432 def: "An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "146.069" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "146.14458" RELATED MASS [ChEBI] synonym: "2,5-diamino-5-oxopentanoic acid" RELATED [IUPAC] synonym: "2-amino-4-carbamoylbutanoic acid" RELATED [JCBN] synonym: "2-Aminoglutaramic acid" RELATED [KEGG_COMPOUND] synonym: "C5H10N2O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "glutamic acid gamma-amide" RELATED [ChEBI] synonym: "Glutamin" RELATED [ChEBI] synonym: "Glutamine" EXACT [KEGG_COMPOUND] synonym: "glutamine" EXACT IUPAC_NAME [IUPAC] synonym: "Glutaminsaeure-5-amid" RELATED [ChEBI] synonym: "Hgln" RELATED [IUPAC] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)" RELATED InChI [ChEBI] synonym: "NC(CCC(N)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1723795 "Beilstein" xref: CAS:585-21-7 "ChemIDplus" xref: CAS:6899-04-3 "ChemIDplus" xref: colombos:GLUTAMINE xref: Gmelin:27318 "Gmelin" xref: KEGG:C00303 xref: KNApSAcK:C00001359 xref: Reaxys:1723795 "Reaxys" xref: Wikipedia:Glutamine is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50331 ! 3-amino-3-oxopropyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32678 ! glutaminate relationship: is_conjugate_base_of CHEBI:32679 ! glutaminium [Term] id: CHEBI:28328 name: D-galactosamine namespace: chebi_ontology alt_id: CHEBI:20951 alt_id: CHEBI:4135 alt_id: CHEBI:447526 def: "The D-stereoisomer of galactosamine." [] subset: 3_STAR synonym: "C6H13NO5" RELATED FORMULA [KEGG_COMPOUND] xref: PMID:16530410 "ChEMBL" xref: PMID:19067146 "Europe PMC" xref: PMID:6196640 "Europe PMC" xref: Wikipedia:Galactosamine is_a: CHEBI:24156 ! galactosamine relationship: has_role CHEBI:75771 ! mouse metabolite [Term] id: CHEBI:28358 name: rac-lactic acid namespace: chebi_ontology alt_id: CHEBI:24998 alt_id: CHEBI:6351 def: "A racemate comprising equimolar amounts of (R)- and (S)-lactic acid." [] subset: 3_STAR synonym: "(+-)-2-hydroxypropanoic acid" RELATED [ChEBI] synonym: "2-Hydroxypropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2-Hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "alpha-hydroxypropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-hydroxypropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "C3H6O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "E270" RELATED [ChEBI] synonym: "Lactic acid" RELATED [KEGG_COMPOUND] synonym: "Milchsaeure" RELATED [ChEBI] synonym: "rac-2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1209341 "Beilstein" xref: CAS:50-21-5 "KEGG COMPOUND" xref: DrugBank:DB04398 xref: KEGG:C01432 xref: KEGG:D00111 xref: LIPID_MAPS_instance:LMFA01050002 "LIPID MAPS" xref: PMID:17190852 "Europe PMC" xref: Reaxys:1209341 "Reaxys" xref: Wikipedia:Lactic_acid is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:42111 ! (R)-lactic acid relationship: has_part CHEBI:422 ! (S)-lactic acid relationship: has_role CHEBI:64049 ! food acidity regulator relationship: is_conjugate_acid_of CHEBI:24996 ! lactate [Term] id: CHEBI:28368 name: novobiocin namespace: chebi_ontology alt_id: CHEBI:25597 alt_id: CHEBI:44505 alt_id: CHEBI:7644 def: "A coumarin-derived antibiotic obtained from Streptomyces niveus." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "612.232" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "612.62430" RELATED MASS [ChEBI] synonym: "C31H36N2O11" RELATED FORMULA [ChEBI] synonym: "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C" RELATED SMILES [ChEBI] synonym: "InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1" RELATED InChI [ChEBI] synonym: "N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide" RELATED [ChEBI] synonym: "Novobiocin" EXACT [KEGG_COMPOUND] synonym: "novobiocina" RELATED INN [DrugBank] synonym: "novobiocine" RELATED INN [DrugBank] synonym: "novobiocinum" RELATED INN [DrugBank] synonym: "YJQPYGGHQPGBLI-KGSXXDOSSA-N" RELATED InChIKey [ChEBI] xref: CAS:303-81-1 "KEGG COMPOUND" xref: colombos:NOVOBIOCIN xref: Drug_Central:1974 "DrugCentral" xref: DrugBank:DB01051 xref: HMDB:HMDB15185 xref: KEGG:C05080 xref: KNApSAcK:C00002487 xref: LINCS:LSM-5910 xref: Patent:WO2012049521 xref: Patent:WO2012103487 xref: PDBeChem:NOV xref: PMID:17132020 "Europe PMC" xref: PMID:18418407 "Europe PMC" xref: PMID:19282394 "Europe PMC" xref: PMID:19762445 "Europe PMC" xref: PMID:20325309 "Europe PMC" xref: PMID:21388139 "Europe PMC" xref: PMID:22897434 "Europe PMC" xref: PMID:26844397 "Europe PMC" xref: PMID:26926630 "Europe PMC" xref: PMID:27829510 "Europe PMC" xref: PMID:27914946 "Europe PMC" xref: PMID:28246042 "Europe PMC" xref: PMID:28316592 "Europe PMC" xref: PMID:9687383 "Europe PMC" xref: Reaxys:1445842 "Reaxys" is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:25698 ! ether is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:33853 ! phenols is_a: CHEBI:35313 ! hexoside is_a: CHEBI:37912 ! hydroxycoumarin is_a: CHEBI:63367 ! monosaccharide derivative relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor relationship: has_role CHEBI:62868 ! hepatoprotective agent relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:71339 ! novobiocin(1-) [Term] id: CHEBI:28383 name: alpha,omega-dicarboxylic acid namespace: chebi_ontology alt_id: CHEBI:10197 alt_id: CHEBI:13780 alt_id: CHEBI:22361 subset: 3_STAR synonym: "alpha(omega)-Dicarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "alpha,omega-Dicarboxylic acid" EXACT [KEGG_COMPOUND] synonym: "alpha,omega-dicarboxylic acids" RELATED [ChEBI] synonym: "alphaomega-dicarboxylic acid" RELATED [UniProt] xref: KEGG:C04025 is_a: CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:28422 name: 3-oxohexanoic acid namespace: chebi_ontology alt_id: CHEBI:1640 alt_id: CHEBI:20171 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "130.063" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "130.14180" RELATED MASS [ChEBI] synonym: "3-Oxohexanoate" RELATED [KEGG_COMPOUND] synonym: "3-Oxohexanoic acid" EXACT [KEGG_COMPOUND] synonym: "3-oxohexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "BDCLDNALSPBWPQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C6H10O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "CCCC(=O)CC(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)" RELATED InChI [ChEBI] xref: KEGG:C02122 xref: LIPID_MAPS_instance:LMFA01060008 "LIPID MAPS" is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid relationship: has_functional_parent CHEBI:30776 ! hexanoic acid [Term] id: CHEBI:28616 name: carbamic acid namespace: chebi_ontology alt_id: CHEBI:22504 alt_id: CHEBI:23002 alt_id: CHEBI:3386 alt_id: CHEBI:44573 def: "A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "61.016" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "61.04006" RELATED MASS [ChEBI] synonym: "Aminoameisensaeure" RELATED [ChEBI] synonym: "Aminoformic acid" RELATED [KEGG_COMPOUND] synonym: "Carbamate" RELATED [KEGG_COMPOUND] synonym: "CARBAMIC ACID" EXACT [PDBeChem] synonym: "Carbamic acid" EXACT [KEGG_COMPOUND] synonym: "carbamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Carbamidsaeure" RELATED [ChEBI] synonym: "CH3NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)" RELATED InChI [ChEBI] synonym: "KXDHJXZQYSOELW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "NC(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1734754 "Beilstein" xref: CAS:463-77-4 "ChemIDplus" xref: DrugBank:DB04261 xref: Gmelin:130345 "Gmelin" xref: KEGG:C01563 xref: PDBeChem:OUT xref: Wikipedia:Carbamic_acid is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:13941 ! carbamate [Term] id: CHEBI:28631 name: 3-phenylpropionic acid namespace: chebi_ontology alt_id: CHEBI:26002 alt_id: CHEBI:26005 alt_id: CHEBI:43112 alt_id: CHEBI:8103 def: "A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.068" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "150.17450" RELATED MASS [ChEBI] synonym: "3-Phenyl-propionic acid" RELATED [KEGG_COMPOUND] synonym: "3-Phenylpropanoic acid" RELATED [KEGG_COMPOUND] synonym: "3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-phenylpropionic acid" EXACT [KEGG_COMPOUND] synonym: "3-phenylpropionic acid" EXACT [ChemIDplus] synonym: "3-Phenylpropionsaeure" RELATED [ChEBI] synonym: "3PP" RELATED [DrugBank] synonym: "benzenepropanoic acid" RELATED [ChemIDplus] synonym: "benzenepropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "benzylacetic acid" RELATED [ChemIDplus] synonym: "beta-phenylpropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "C9H10O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "dihydrocinnamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "HYDROCINNAMIC ACID" RELATED [PDBeChem] synonym: "Hydrozimtsaeure" RELATED [ChEBI] synonym: "InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)" RELATED InChI [ChEBI] synonym: "OC(=O)CCc1ccccc1" RELATED SMILES [ChEBI] synonym: "Phenylpropanoate" RELATED [KEGG_COMPOUND] synonym: "XMIIGOLPHOKFCH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:907515 "Beilstein" xref: CAS:501-52-0 "KEGG COMPOUND" xref: DrugBank:DB02024 xref: ECMDB:ECMDB00764 xref: Gmelin:102198 "Gmelin" xref: HMDB:HMDB00764 xref: KEGG:C05629 xref: MetaCyc:3-PHENYLPROPIONATE xref: PDBeChem:HCI xref: PMID:18062653 "Europe PMC" xref: PMID:20972783 "Europe PMC" xref: PMID:23470767 "Europe PMC" xref: PMID:24216280 "Europe PMC" xref: Reaxys:907515 "Reaxys" xref: Wikipedia:Phenylpropanoic_acid is_a: CHEBI:22712 ! benzenes is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:51057 ! 3-phenylpropionate [Term] id: CHEBI:28659 name: phosphorus atom namespace: chebi_ontology alt_id: CHEBI:26080 alt_id: CHEBI:8168 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "15P" RELATED [IUPAC] synonym: "30.97376" RELATED MASS [ChEBI] synonym: "30.974" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[P]" RELATED SMILES [ChEBI] synonym: "fosforo" RELATED [ChEBI] synonym: "InChI=1S/P" RELATED InChI [ChEBI] synonym: "OAICVXFJPJFONN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "P" RELATED [IUPAC] synonym: "P" RELATED FORMULA [ChEBI] synonym: "P" RELATED [KEGG_COMPOUND] synonym: "Phosphor" RELATED [ChEBI] synonym: "phosphore" RELATED [ChEBI] synonym: "Phosphorus" RELATED [KEGG_COMPOUND] synonym: "phosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "phosphorus" RELATED [ChEBI] xref: CAS:7723-14-0 "KEGG COMPOUND" xref: Gmelin:16235 "Gmelin" xref: KEGG:C06262 xref: WebElements:P is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33300 ! pnictogen relationship: has_role CHEBI:33937 ! macronutrient [Term] id: CHEBI:28681 name: N,N'-diacetylchitobiose namespace: chebi_ontology alt_id: CHEBI:3597 alt_id: CHEBI:701011 def: "The N,N'-diacetylated derivative of chitobiose, but with no stereodesignation for the anomeric carbon atom." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "424.169" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "424.40040" RELATED MASS [ChEBI] synonym: "C16H28N2O11" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "CDOJPCSDOXYJJF-CBTAGEKQSA-N" RELATED InChIKey [ChEBI] synonym: "Chitobiose" RELATED [KEGG_COMPOUND] synonym: "Diacetylchitobiose" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1" RELATED InChI [ChEBI] synonym: "N,N'-Diacetylchitobiose" EXACT [KEGG_COMPOUND] synonym: "N,N'-diacetylchitobiose" EXACT [UniProt] xref: Beilstein:1443239 "Beilstein" xref: CAS:35061-50-8 "KEGG COMPOUND" xref: KEGG:C01674 xref: KEGG:G10336 xref: PMID:20056550 "ChEMBL" is_a: CHEBI:23101 ! N,N'-diacetylchitobioses relationship: has_functional_parent CHEBI:50675 ! beta-D-glucosaminyl-(1->4)-D-glucosamine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:28685 name: molybdenum atom namespace: chebi_ontology alt_id: CHEBI:25369 alt_id: CHEBI:49750 alt_id: CHEBI:6968 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "42Mo" RELATED [IUPAC] synonym: "95.94000" RELATED MASS [ChEBI] synonym: "97.905" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Mo]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Mo" RELATED InChI [ChEBI] synonym: "Mo" RELATED [IUPAC] synonym: "Mo" RELATED FORMULA [KEGG_COMPOUND] synonym: "molibdeno" RELATED [ChEBI] synonym: "Molybdaen" RELATED [ChEBI] synonym: "molybdene" RELATED [ChEBI] synonym: "Molybdenum" RELATED [KEGG_COMPOUND] synonym: "molybdenum" EXACT IUPAC_NAME [IUPAC] synonym: "molybdenum" RELATED [ChEBI] synonym: "ZOKXTWBITQBERF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7439-98-7 "ChemIDplus" xref: Gmelin:16205 "Gmelin" xref: KEGG:C00150 xref: WebElements:Mo is_a: CHEBI:33350 ! chromium group element atom relationship: has_role CHEBI:27027 ! micronutrient [Term] id: CHEBI:28694 name: copper atom namespace: chebi_ontology alt_id: CHEBI:23376 alt_id: CHEBI:3874 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "29Cu" RELATED [IUPAC] synonym: "62.930" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "63.54600" RELATED MASS [ChEBI] synonym: "[Cu]" RELATED SMILES [ChEBI] synonym: "cobre" RELATED [ChEBI] synonym: "Copper" RELATED [KEGG_COMPOUND] synonym: "copper" EXACT IUPAC_NAME [IUPAC] synonym: "copper" RELATED [ChEBI] synonym: "Cu" RELATED [ChEBI] synonym: "Cu" RELATED [IUPAC] synonym: "Cu" RELATED FORMULA [KEGG_COMPOUND] synonym: "cuivre" RELATED [ChEBI] synonym: "cuprum" RELATED [IUPAC] synonym: "InChI=1S/Cu" RELATED InChI [ChEBI] synonym: "Kupfer" RELATED [ChEBI] synonym: "RYGMFSIKBFXOCR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7440-50-8 "KEGG COMPOUND" xref: Gmelin:16269 "Gmelin" xref: KEGG:C00070 xref: WebElements:Cu is_a: CHEBI:33366 ! copper group element atom relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:28757 name: fructose namespace: chebi_ontology alt_id: CHEBI:24104 alt_id: CHEBI:24110 alt_id: CHEBI:5172 def: "A ketohexose that is an isomer of glucose." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "180.15588" RELATED MASS [ChEBI] synonym: "arabino-hex-2-ulose" EXACT IUPAC_NAME [IUPAC] synonym: "arabino-Hexulose" RELATED [KEGG_COMPOUND] synonym: "C6H12O6" RELATED FORMULA [ChEBI] synonym: "Fru" RELATED [JCBN] synonym: "Fruchtzucker" RELATED [ChEBI] synonym: "Fructose" EXACT [KEGG_COMPOUND] synonym: "fructose" EXACT IUPAC_NAME [IUPAC] synonym: "Fruktose" RELATED [ChEBI] xref: CAS:30237-26-4 "ChemIDplus" xref: DrugBank:DB04173 xref: KEGG:C01496 xref: Wikipedia:Fructose is_a: CHEBI:24973 ! ketohexose relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:28800 name: N-acetylgalactosamine namespace: chebi_ontology alt_id: CHEBI:21600 alt_id: CHEBI:7201 subset: 3_STAR synonym: "2-Acetamido-2-deoxygalactose" RELATED [KEGG_COMPOUND] synonym: "2-acetamido-2-deoxygalactose" EXACT IUPAC_NAME [IUPAC] synonym: "C8H15NO6" RELATED FORMULA [ChEBI] synonym: "GalNAc" RELATED [KEGG_COMPOUND] synonym: "N-Acetylchondrosamine" RELATED [KEGG_COMPOUND] synonym: "N-Acetylgalactosamine" EXACT [KEGG_COMPOUND] xref: CAS:1811-31-0 "KEGG COMPOUND" xref: KEGG:C01074 is_a: CHEBI:21655 ! N-acylgalactosamine relationship: has_role CHEBI:75771 ! mouse metabolite [Term] id: CHEBI:28802 name: flavonols namespace: chebi_ontology alt_id: CHEBI:13639 alt_id: CHEBI:24052 alt_id: CHEBI:71969 def: "Any hydroxyflavone in which is the ring hydrogen at position 3 of the heterocyclic ring is replaced by a hydroxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "228.993" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "229.16660" RELATED MASS [ChEBI] synonym: "3-hydroxyflavones" RELATED [ChEBI] synonym: "a flavonol" RELATED [UniProt] synonym: "C15HO3R9" RELATED FORMULA [ChEBI] synonym: "Oc1c(oc2c([*])c([*])c([*])c([*])c2c1=O)-c1c([*])c([*])c([*])c([*])c1[*]" RELATED SMILES [ChEBI] xref: MetaCyc:Flavonols xref: Wikipedia:Flavonol is_a: CHEBI:24698 ! hydroxyflavone relationship: is_conjugate_acid_of CHEBI:58588 ! flavonol oxoanion [Term] id: CHEBI:28834 name: deoxycholic acid namespace: chebi_ontology alt_id: CHEBI:1687 alt_id: CHEBI:23616 alt_id: CHEBI:42317 def: "A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively." [] subset: 3_STAR synonym: "(3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID" RELATED [PDBeChem] synonym: "(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "392.293" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "392.57200" RELATED MASS [ChEBI] synonym: "3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,12alpha-Dihydroxy-5beta-cholanic acid" RELATED [KEGG_COMPOUND] synonym: "7alpha-deoxycholic acid" RELATED [ChemIDplus] synonym: "[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2" RELATED SMILES [ChEBI] synonym: "C24H40O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "Deoxycholic acid" EXACT [KEGG_COMPOUND] synonym: "desoxycholic acid" RELATED [ChemIDplus] synonym: "Desoxycholsaeure" RELATED [ChEBI] synonym: "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "KXGVEGMKQFWNSR-LLQZFEROSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:3219882 "ChemIDplus" xref: CAS:83-44-3 "ChemIDplus" xref: Drug_Central:4988 "DrugCentral" xref: DrugBank:DB03619 xref: Gmelin:670078 "Gmelin" xref: KEGG:C04483 xref: KNApSAcK:C00030117 xref: LINCS:LSM-5529 xref: LIPID_MAPS_instance:LMST04010040 "LIPID MAPS" xref: PDBeChem:DXC is_a: CHEBI:131620 ! C24-steroid is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid is_a: CHEBI:3098 ! bile acid relationship: has_role CHEBI:85234 ! human blood serum metabolite relationship: is_conjugate_acid_of CHEBI:23614 ! deoxycholate [Term] id: CHEBI:28837 name: octanoic acid namespace: chebi_ontology alt_id: CHEBI:25648 alt_id: CHEBI:3373 alt_id: CHEBI:44501 def: "A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-heptanecarboxylic acid" RELATED [ChemIDplus] synonym: "144.115" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "144.21140" RELATED MASS [ChEBI] synonym: "8:0" RELATED [ChEBI] synonym: "Acide octanoique" RELATED [ChemIDplus] synonym: "acide octanoique" RELATED INN [WHO_MedNet] synonym: "Acido octanoico" RELATED [ChemIDplus] synonym: "acido octanoico" RELATED INN [WHO_MedNet] synonym: "Acidum octanocium" RELATED [ChemIDplus] synonym: "acidum octanoicum" RELATED INN [WHO_MedNet] synonym: "C8:0" RELATED [ChEBI] synonym: "C8H16O2" RELATED FORMULA [ChEBI] synonym: "Caprylic acid" RELATED [KEGG_COMPOUND] synonym: "CCCCCCCC(O)=O" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]6-COOH" RELATED [IUPAC] synonym: "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" RELATED InChI [ChEBI] synonym: "Kaprylsaeure" RELATED [ChEBI] synonym: "n-caprylic acid" RELATED [ChemIDplus] synonym: "n-octanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-octoic acid" RELATED [ChemIDplus] synonym: "n-octylic acid" RELATED [ChemIDplus] synonym: "Octanoic acid" EXACT [KEGG_COMPOUND] synonym: "octanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "octanoic acid" RELATED INN [WHO_MedNet] synonym: "OCTANOIC ACID (CAPRYLIC ACID)" RELATED [PDBeChem] synonym: "Octansaeure" RELATED [ChEBI] synonym: "octoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Octylic acid" RELATED [KEGG_COMPOUND] synonym: "WWZKQHOCKIZLMA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1747180 "Beilstein" xref: CAS:124-07-2 "KEGG COMPOUND" xref: colombos:OCTANOIC_ACID xref: Drug_Central:3998 "DrugCentral" xref: DrugBank:DB04519 xref: Gmelin:142966 "Gmelin" xref: HMDB:HMDB00482 xref: KEGG:C06423 xref: KEGG:D05220 xref: KNApSAcK:C00001231 xref: LIPID_MAPS_instance:LMFA01010008 "LIPID MAPS" xref: MetaCyc:CPD-195 xref: PDBeChem:OCA xref: PMID:16162522 "Europe PMC" xref: PMID:16872526 "Europe PMC" xref: PMID:19096058 "Europe PMC" xref: Reaxys:1747180 "Reaxys" xref: Wikipedia:Caprylic_acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:25646 ! octanoate [Term] id: CHEBI:28847 name: D-fucose namespace: chebi_ontology alt_id: CHEBI:20941 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "164.15648" RELATED MASS [ChEBI] synonym: "6-deoxy-D-galactose" EXACT IUPAC_NAME [IUPAC] synonym: "C6H12O5" RELATED FORMULA [ChEBI] synonym: "D-Fuc" RELATED [JCBN] synonym: "D-fucose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33984 ! fucose [Term] id: CHEBI:28868 name: fatty acid anion namespace: chebi_ontology alt_id: CHEBI:13634 alt_id: CHEBI:24022 alt_id: CHEBI:4985 def: "The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "44.00950" RELATED MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "a fatty acid" RELATED [UniProt] synonym: "acido graso anionico" RELATED [ChEBI] synonym: "acidos grasos anionicos" RELATED [ChEBI] synonym: "Alkanate" RELATED [KEGG_COMPOUND] synonym: "anion de l'acide gras" RELATED [ChEBI] synonym: "CO2R" RELATED FORMULA [ChEBI] synonym: "Fatty acid anion" EXACT [KEGG_COMPOUND] synonym: "fatty acid anions" RELATED [ChEBI] synonym: "Fettsaeureanion" RELATED [ChEBI] synonym: "Fettsaeureanionen" RELATED [ChEBI] xref: KEGG:C02403 xref: PMID:18628202 "Europe PMC" is_a: CHEBI:18059 ! lipid is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35366 ! fatty acid [Term] id: CHEBI:28869 name: menadione namespace: chebi_ontology alt_id: CHEBI:27304 alt_id: CHEBI:46306 alt_id: CHEBI:6747 def: "A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "172.052" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "172.18002" RELATED MASS [ChEBI] synonym: "2-methyl-1,4-naphthalenedione" RELATED [ChemIDplus] synonym: "2-Methyl-1,4-naphthochinon" RELATED [ChemIDplus] synonym: "2-Methyl-1,4-naphthoquinone" RELATED [KEGG_COMPOUND] synonym: "2-methylnaphthalene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "C11H8O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC1=CC(=O)c2ccccc2C1=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3" RELATED InChI [ChEBI] synonym: "MENADIONE" EXACT [PDBeChem] synonym: "Menadione" EXACT [KEGG_COMPOUND] synonym: "menadione" EXACT [UniProt] synonym: "MJVAVZPDRWSRRC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Vitamin K3" RELATED [KEGG_COMPOUND] xref: CAS:58-27-5 "ChemIDplus" xref: Drug_Central:1683 "DrugCentral" xref: DrugBank:DB00170 xref: HMDB:HMDB01892 xref: KEGG:C05377 xref: KEGG:D02335 xref: LINCS:LSM-3755 xref: PDBeChem:VK3 xref: PMID:13779073 "Europe PMC" xref: PMID:15052609 "Europe PMC" xref: PMID:16469140 "Europe PMC" xref: PMID:1650428 "Europe PMC" xref: PMID:28166217 "Europe PMC" xref: PMID:9380028 "Europe PMC" xref: Reaxys:1908453 "Reaxys" xref: Wikipedia:Menadione is_a: CHEBI:132142 ! 1,4-naphthoquinones relationship: has_role CHEBI:50733 ! nutraceutical [Term] id: CHEBI:28885 name: butan-1-ol namespace: chebi_ontology alt_id: CHEBI:22936 alt_id: CHEBI:39632 alt_id: CHEBI:612 def: "A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-BUTANOL" RELATED [PDBeChem] synonym: "1-Butanol" RELATED [KEGG_COMPOUND] synonym: "1-butyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "1-hydroxybutane" RELATED [NIST_Chemistry_WebBook] synonym: "74.073" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "74.12160" RELATED MASS [ChEBI] synonym: "BuOH" RELATED [IUPAC] synonym: "butan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "butan-1-ol" EXACT [UniProt] synonym: "C4H10O" RELATED FORMULA [KEGG_COMPOUND] synonym: "CCCCO" RELATED SMILES [ChEBI] synonym: "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" RELATED InChI [ChEBI] synonym: "LRHPLDYGYMQRHN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "n-butan-1-ol" RELATED [NIST_Chemistry_WebBook] synonym: "n-Butanol" RELATED [KEGG_COMPOUND] synonym: "n-butyl alcohol" RELATED [ChemIDplus] synonym: "n-Butylalkohol" RELATED [ChEBI] synonym: "propyl carbinol" RELATED [ChemIDplus] xref: Beilstein:969148 "Beilstein" xref: CAS:71-36-3 "ChemIDplus" xref: colombos:BUTANOL xref: DrugBank:DB02145 xref: Gmelin:25753 "Gmelin" xref: HMDB:HMDB04327 xref: KEGG:C06142 xref: KEGG:D03200 xref: MetaCyc:BUTANOL xref: PDBeChem:1BO xref: PMID:23980702 "Europe PMC" xref: PMID:7096503 "Europe PMC" xref: Reaxys:969148 "Reaxys" xref: Wikipedia:N-Butanol is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:50584 ! alkyl alcohol relationship: has_role CHEBI:48356 ! protic solvent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:28938 name: ammonium namespace: chebi_ontology alt_id: CHEBI:22534 alt_id: CHEBI:49783 alt_id: CHEBI:7435 def: "An onium cation obtained by protonation of ammonia." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "18.034" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "18.03850" RELATED MASS [ChEBI] synonym: "[H][N+]([H])([H])[H]" RELATED SMILES [ChEBI] synonym: "[NH4](+)" RELATED [MolBase] synonym: "ammonium" EXACT IUPAC_NAME [IUPAC] synonym: "ammonium" EXACT [ChEBI] synonym: "AMMONIUM ION" RELATED [PDBeChem] synonym: "Ammonium(1+)" RELATED [ChemIDplus] synonym: "azanium" EXACT IUPAC_NAME [IUPAC] synonym: "H4N" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/H3N/h1H3/p+1" RELATED InChI [ChEBI] synonym: "NH4(+)" RELATED [UniProt] synonym: "NH4(+)" RELATED [IUPAC] synonym: "NH4+" RELATED [KEGG_COMPOUND] synonym: "QGZKDVFQNNGYKY-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: CAS:14798-03-9 "NIST Chemistry WebBook" xref: Gmelin:84 "Gmelin" xref: KEGG:C01342 xref: MetaCyc:AMMONIUM xref: MolBase:929 xref: PDBeChem:NH4 xref: PMID:11319011 "Europe PMC" xref: PMID:11341317 "Europe PMC" xref: PMID:12096804 "Europe PMC" xref: PMID:14512268 "Europe PMC" xref: PMID:14879753 "Europe PMC" xref: PMID:16345391 "Europe PMC" xref: PMID:16903292 "Europe PMC" xref: PMID:17392693 "Europe PMC" xref: PMID:18515490 "Europe PMC" xref: PMID:19199063 "Europe PMC" xref: PMID:19596600 "Europe PMC" xref: PMID:19682559 "Europe PMC" xref: PMID:19716251 "Europe PMC" xref: PMID:21993530 "Europe PMC" xref: PMID:22265469 "Europe PMC" xref: PMID:22524020 "Europe PMC" xref: PMID:22562341 "Europe PMC" xref: PMID:22631217 "Europe PMC" xref: Reaxys:16093784 "Reaxys" xref: Wikipedia:Ammonium is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:35274 ! ammonium ion is_a: CHEBI:50313 ! onium cation is_a: CHEBI:60242 ! monovalent inorganic cation relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16134 ! ammonia [Term] id: CHEBI:28963 name: amino sugar namespace: chebi_ontology alt_id: CHEBI:22481 alt_id: CHEBI:22530 alt_id: CHEBI:2662 def: "Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups." [] subset: 3_STAR synonym: "amino sugars" RELATED [ChEBI] synonym: "aminosugar" RELATED [ChEBI] synonym: "Aminosugars" RELATED [KEGG_COMPOUND] xref: KEGG:C05383 xref: PMID:18424273 "Europe PMC" xref: PMID:9056391 "Europe PMC" is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:28965 name: dicarboxylic acid dianion namespace: chebi_ontology alt_id: CHEBI:13632 alt_id: CHEBI:23688 alt_id: CHEBI:23689 alt_id: CHEBI:38711 def: "A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "87.980" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[O-]C(=O)[*]C([O-])=O" RELATED SMILES [ChEBI] synonym: "a dicarboxylate" RELATED [UniProt] synonym: "C2O4R" RELATED FORMULA [ChEBI] synonym: "dicarboxylate" RELATED [ChEBI] synonym: "dicarboxylates" RELATED [ChEBI] synonym: "dicarboxylic acid dianion" EXACT [ChEBI] synonym: "dicarboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion is_a: CHEBI:38716 ! carboxylic acid dianion [Term] id: CHEBI:28971 name: ampicillin namespace: chebi_ontology alt_id: CHEBI:22536 alt_id: CHEBI:2683 alt_id: CHEBI:40648 alt_id: CHEBI:45042 def: "A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group." [] subset: 3_STAR synonym: "(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [IUPAC] synonym: "(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID" RELATED [PDBeChem] synonym: "(2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [PDBeChem] synonym: "0" RELATED CHARGE [ChEBI] synonym: "349.110" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "349.40500" RELATED MASS [ChEBI] synonym: "6-(D-(2-amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid" RELATED [ChemIDplus] synonym: "6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O" RELATED SMILES [ChEBI] synonym: "ABPC" RELATED [ChEBI] synonym: "aminobenzylpenicillin" RELATED [DrugBank] synonym: "AMP" RELATED [ChEBI] synonym: "ampicilina" RELATED INN [ChemIDplus] synonym: "Ampicillin" EXACT [KEGG_COMPOUND] synonym: "ampicillin" RELATED INN [ChemIDplus] synonym: "ampicillin acid" RELATED [DrugBank] synonym: "ampicillin anhydrous" RELATED [DrugBank] synonym: "ampicilline" RELATED INN [ChemIDplus] synonym: "ampicillinum" RELATED INN [ChemIDplus] synonym: "Anhydrous ampicillin" RELATED [KEGG_COMPOUND] synonym: "AP" RELATED [ChEBI] synonym: "AVKUERGKIZMTKX-NJBDSQKTSA-N" RELATED InChIKey [ChEBI] synonym: "C16H19N3O4S" RELATED FORMULA [ChEBI] synonym: "D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid" RELATED [ChemIDplus] synonym: "D-(-)-ampicillin" RELATED [ChemIDplus] synonym: "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1" RELATED InChI [ChEBI] xref: Beilstein:4300240 "Beilstein" xref: CAS:69-53-4 "ChemIDplus" xref: colombos:AMPICILIN xref: Drug_Central:198 "DrugCentral" xref: DrugBank:DB00415 xref: HMDB:HMDB14559 xref: KEGG:C06574 xref: KEGG:D00204 xref: LINCS:LSM-5761 xref: Patent:GB902703 xref: Patent:US2985648 xref: Patent:US3157640 xref: PDB:1H8S xref: PDBeChem:AIC xref: PDBeChem:PN1 xref: PMID:10930630 "Europe PMC" xref: PMID:12562703 "Europe PMC" xref: PMID:12569987 "Europe PMC" xref: PMID:12833570 "Europe PMC" xref: PMID:14139119 "Europe PMC" xref: PMID:14455820 "Europe PMC" xref: PMID:15768449 "Europe PMC" xref: PMID:16033609 "Europe PMC" xref: PMID:18611716 "Europe PMC" xref: PMID:19967069 "Europe PMC" xref: PMID:2083978 "Europe PMC" xref: PMID:23568176 "Europe PMC" xref: PMID:23861268 "Europe PMC" xref: PMID:24474427 "Europe PMC" xref: PMID:24666465 "Europe PMC" xref: PMID:25998949 "Europe PMC" xref: PMID:28543395 "Europe PMC" xref: PMID:6176550 "Europe PMC" xref: PMID:8020088 "Europe PMC" xref: PMID:9433938 "Europe PMC" xref: Reaxys:4300240 "Reaxys" xref: Wikipedia:Ampicillin is_a: CHEBI:17334 ! penicillin relationship: has_role CHEBI:36047 ! antibacterial drug relationship: is_conjugate_acid_of CHEBI:50658 ! ampicillin(1-) [Term] id: CHEBI:28976 name: carbonic acid namespace: chebi_ontology alt_id: CHEBI:13351 alt_id: CHEBI:23017 alt_id: CHEBI:23744 alt_id: CHEBI:3401 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "62.000" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "62.02478" RELATED MASS [ChEBI] synonym: "[CO(OH)2]" RELATED [IUPAC] synonym: "BVKZGUZCCUSVTD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Carbonic acid" EXACT [KEGG_COMPOUND] synonym: "carbonic acid" EXACT [UniProt] synonym: "carbonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "CH2O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "Dihydrogen carbonate" RELATED [KEGG_COMPOUND] synonym: "dihydroxidooxidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "H2CO3" RELATED [KEGG_COMPOUND] synonym: "H2CO3" RELATED [IUPAC] synonym: "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)" RELATED InChI [ChEBI] synonym: "Koehlensaeure" RELATED [ChEBI] synonym: "OC(O)=O" RELATED SMILES [ChEBI] xref: CAS:463-79-6 "KEGG COMPOUND" xref: Gmelin:25554 "Gmelin" xref: KEGG:C01353 xref: PDBeChem:CO3 is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36961 ! chalcocarbonic acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:17544 ! hydrogencarbonate [Term] id: CHEBI:28997 name: 2'-deoxyinosine namespace: chebi_ontology alt_id: CHEBI:19248 alt_id: CHEBI:23629 alt_id: CHEBI:39841 alt_id: CHEBI:43293 alt_id: CHEBI:43436 alt_id: CHEBI:4413 def: "A purine 2'-deoxyribonucleoside that is inosine in which the hydroxy group at position 2' is replaced by a hydrogen." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2'-deoxyinosine" EXACT IUPAC_NAME [IUPAC] synonym: "2'-deoxyinosine" EXACT [UniProt] synonym: "252.086" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "252.22684" RELATED MASS [ChEBI] synonym: "9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol" RELATED [IUPAC] synonym: "9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "C10H12N4O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "Deoxyinosine" RELATED [ChemIDplus] synonym: "Deoxyinosine" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1" RELATED InChI [ChEBI] synonym: "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O" RELATED SMILES [ChEBI] synonym: "VGONTNSXDCQUGY-RRKCRQDMSA-N" RELATED InChIKey [ChEBI] xref: CAS:890-38-0 "KEGG COMPOUND" xref: DrugBank:DB02380 xref: HMDB:HMDB00071 xref: KEGG:C05512 xref: MetaCyc:DEOXYINOSINE xref: PMID:23408659 "Europe PMC" xref: PMID:24292023 "Europe PMC" xref: Reaxys:1011821 "Reaxys" xref: YMDB:YMDB00659 is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside relationship: has_functional_parent CHEBI:17596 ! inosine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:29016 name: arginine namespace: chebi_ontology alt_id: CHEBI:22616 alt_id: CHEBI:2643 def: "An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "174.112" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "174.20112" RELATED MASS [ChEBI] synonym: "2-amino-5-(carbamimidamido)pentanoic acid" RELATED [IUPAC] synonym: "2-amino-5-guanidinopentanoic acid" RELATED [JCBN] synonym: "2-Amino-5-guanidinovaleric acid" RELATED [KEGG_COMPOUND] synonym: "Arginin" RELATED [ChEBI] synonym: "Arginine" EXACT [KEGG_COMPOUND] synonym: "arginine" EXACT IUPAC_NAME [IUPAC] synonym: "C6H14N4O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Harg" RELATED [IUPAC] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)" RELATED InChI [ChEBI] synonym: "NC(CCCNC(N)=N)C(O)=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1725411 "Beilstein" xref: CAS:7200-25-1 "ChemIDplus" xref: colombos:ARGININE xref: KEGG:C02385 xref: PMID:10848923 "Europe PMC" xref: Reaxys:1725411 "Reaxys" xref: Wikipedia:L-Arginine is_a: CHEBI:24436 ! guanidines is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50340 ! 3-carbamimidamidopropyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32695 ! argininate relationship: is_conjugate_base_of CHEBI:32696 ! argininium(1+) property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.20112" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.112" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=N)C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:29033 name: iron(2+) namespace: chebi_ontology alt_id: CHEBI:13319 alt_id: CHEBI:13321 alt_id: CHEBI:21129 alt_id: CHEBI:24876 alt_id: CHEBI:34754 alt_id: CHEBI:49599 subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "55.84500" RELATED MASS [ChEBI] synonym: "55.935" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Fe++]" RELATED SMILES [ChEBI] synonym: "CWYNVVGOOAEACU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Fe" RELATED FORMULA [KEGG_COMPOUND] synonym: "FE (II) ION" RELATED [PDBeChem] synonym: "Fe(2+)" RELATED [UniProt] synonym: "Fe(II)" RELATED [KEGG_COMPOUND] synonym: "Fe2+" RELATED [KEGG_COMPOUND] synonym: "Ferrous ion" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/Fe/q+2" RELATED InChI [ChEBI] synonym: "iron ion(2+)" RELATED [ChemIDplus] synonym: "Iron(2+)" EXACT [KEGG_COMPOUND] synonym: "iron(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "iron(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "iron(II) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:15438-31-0 "ChemIDplus" xref: Gmelin:6845 "Gmelin" xref: KEGG:C14818 xref: PDBeChem:FE2 is_a: CHEBI:24875 ! iron cation is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:29034 name: iron(3+) namespace: chebi_ontology alt_id: CHEBI:13320 alt_id: CHEBI:21130 alt_id: CHEBI:24877 alt_id: CHEBI:34755 alt_id: CHEBI:49595 subset: 3_STAR synonym: "+3" RELATED CHARGE [ChEBI] synonym: "55.84500" RELATED MASS [ChEBI] synonym: "55.935" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Fe+3]" RELATED SMILES [ChEBI] synonym: "Fe" RELATED FORMULA [KEGG_COMPOUND] synonym: "FE (III) ION" RELATED [PDBeChem] synonym: "Fe(3+)" RELATED [IUPAC] synonym: "Fe(3+)" RELATED [UniProt] synonym: "Fe(III)" RELATED [KEGG_COMPOUND] synonym: "Fe3+" RELATED [KEGG_COMPOUND] synonym: "Ferric ion" RELATED [KEGG_COMPOUND] synonym: "ferric iron" RELATED [ChEBI] synonym: "InChI=1S/Fe/q+3" RELATED InChI [ChEBI] synonym: "Iron(3+)" EXACT [KEGG_COMPOUND] synonym: "iron(3+)" EXACT IUPAC_NAME [IUPAC] synonym: "iron(3+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "iron(III) cation" EXACT IUPAC_NAME [IUPAC] synonym: "iron, ion (Fe(3+))" RELATED [ChemIDplus] synonym: "VTLYFUHAOXGGBS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:20074-52-6 "ChemIDplus" xref: Gmelin:15986 "Gmelin" xref: KEGG:C14819 xref: PDBeChem:FE is_a: CHEBI:24875 ! iron cation is_a: CHEBI:27153 ! monoatomic trication relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:29035 name: manganese(2+) namespace: chebi_ontology alt_id: CHEBI:21435 alt_id: CHEBI:25156 alt_id: CHEBI:49749 def: "A divalent metal cation in which the metal is manganese." [] subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "54.938" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "54.93805" RELATED MASS [ChEBI] synonym: "[Mn++]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Mn/q+2" RELATED InChI [ChEBI] synonym: "MANGANESE (II) ION" RELATED [PDBeChem] synonym: "manganese(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "manganese(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "manganese(II)" RELATED [ChemIDplus] synonym: "manganese(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "manganese, ion (Mn2+)" RELATED [ChemIDplus] synonym: "manganous ion" RELATED [ChemIDplus] synonym: "Mn" RELATED FORMULA [ChEBI] synonym: "Mn(2+)" RELATED [ChEBI] synonym: "Mn(2+)" RELATED [UniProt] synonym: "Mn(II)" RELATED [ChEBI] synonym: "Mn2+" RELATED [ChEBI] synonym: "WAEMQWOKJMHJLA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:16397-91-4 "ChemIDplus" xref: Gmelin:6858 "Gmelin" xref: PDBeChem:MN is_a: CHEBI:25155 ! manganese cation is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation [Term] id: CHEBI:29036 name: copper(2+) namespace: chebi_ontology alt_id: CHEBI:20882 alt_id: CHEBI:23380 alt_id: CHEBI:49550 def: "An ion of copper carrying a double positive charge." [] subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "62.930" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "63.54600" RELATED MASS [ChEBI] synonym: "[Cu++]" RELATED SMILES [ChEBI] synonym: "COPPER (II) ION" RELATED [PDBeChem] synonym: "copper(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "copper(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "copper(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "copper(II) cation" RELATED [ChEBI] synonym: "copper, ion (Cu2+)" RELATED [ChemIDplus] synonym: "Cu" RELATED FORMULA [ChEBI] synonym: "Cu(2+)" RELATED [UniProt] synonym: "Cu(II)" RELATED [ChEBI] synonym: "Cu2+" RELATED [ChEBI] synonym: "cupric ion" RELATED [ChEBI] synonym: "InChI=1S/Cu/q+2" RELATED InChI [ChEBI] synonym: "JPVYNHNXODAKFH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:15158-11-9 "ChemIDplus" xref: Gmelin:6855 "Gmelin" xref: PDBeChem:CU xref: PMID:23900424 "Europe PMC" xref: PMID:24168430 "Europe PMC" xref: Reaxys:3587177 "Reaxys" is_a: CHEBI:23378 ! copper cation is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation [Term] id: CHEBI:29067 name: carboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:13626 alt_id: CHEBI:13945 alt_id: CHEBI:23026 alt_id: CHEBI:58657 def: "The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "44.00950" RELATED MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "a carboxylate" RELATED [UniProt] synonym: "carboxylic acid anions" RELATED [ChEBI] synonym: "carboxylic anions" RELATED [ChEBI] synonym: "CO2R" RELATED FORMULA [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion relationship: is_conjugate_base_of CHEBI:33575 ! carboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.00950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:29073 name: L-ascorbic acid namespace: chebi_ontology alt_id: CHEBI:21240 alt_id: CHEBI:2868 alt_id: CHEBI:40892 alt_id: CHEBI:43473 def: "The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate." [] subset: 3_STAR synonym: "(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "176.032" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "176.12410" RELATED MASS [ChEBI] synonym: "[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO" RELATED SMILES [ChEBI] synonym: "acide ascorbique" RELATED INN [ChemIDplus] synonym: "acido ascorbico" RELATED INN [ChemIDplus] synonym: "acidum ascorbicum" RELATED INN [ChemIDplus] synonym: "acidum ascorbinicum" RELATED [ChemIDplus] synonym: "Ascoltin" RELATED BRAND_NAME [KEGG_DRUG] synonym: "ASCORBIC ACID" RELATED [PDBeChem] synonym: "Ascorbic acid" RELATED [KEGG_COMPOUND] synonym: "ascorbic acid" RELATED INN [KEGG_DRUG] synonym: "Ascorbicap" RELATED [KEGG_DRUG] synonym: "Ascorbinsaeure" RELATED [ChEBI] synonym: "C6H8O6" RELATED FORMULA [KEGG_COMPOUND] synonym: "CIWBSHSKHKDKBQ-JLAZNSOCSA-N" RELATED InChIKey [ChEBI] synonym: "E 300" RELATED [ChEBI] synonym: "E-300" RELATED [ChEBI] synonym: "E300" RELATED [ChEBI] synonym: "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" RELATED InChI [ChEBI] synonym: "L-(+)-ascorbic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Ascorbate" RELATED [KEGG_COMPOUND] synonym: "L-Ascorbic acid" EXACT [KEGG_COMPOUND] synonym: "L-threo-hex-2-enono-1,4-lactone" EXACT IUPAC_NAME [IUPAC] synonym: "Vitamin C" RELATED [KEGG_COMPOUND] xref: Beilstein:84272 "Beilstein" xref: CAS:50-81-7 "NIST Chemistry WebBook" xref: Drug_Central:4072 "DrugCentral" xref: DrugBank:DB00126 xref: Gmelin:4087 "Gmelin" xref: HMDB:HMDB00044 xref: KEGG:C00072 xref: KEGG:D00018 xref: KNApSAcK:C00001179 xref: MetaCyc:ASCORBATE xref: PDBeChem:ASC xref: PMID:12569111 "Europe PMC" xref: PMID:15949874 "Europe PMC" xref: PMID:17253561 "Europe PMC" xref: PMID:17636648 "Europe PMC" xref: PMID:18813862 "Europe PMC" xref: PMID:19273781 "Europe PMC" xref: PMID:19692922 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:491997 "Europe PMC" xref: PMID:9506998 "Europe PMC" xref: Reaxys:84272 "Reaxys" xref: Wikipedia:Ascorbic_Acid is_a: CHEBI:22652 ! ascorbic acid relationship: has_role CHEBI:21241 ! vitamin C relationship: has_role CHEBI:23354 ! coenzyme relationship: has_role CHEBI:64577 ! flour treatment agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77962 ! food antioxidant relationship: is_conjugate_acid_of CHEBI:38290 ! L-ascorbate relationship: is_enantiomer_of CHEBI:51384 ! D-ascorbic acid [Term] id: CHEBI:29075 name: mononucleotide namespace: chebi_ontology alt_id: CHEBI:14616 alt_id: CHEBI:25404 alt_id: CHEBI:6983 subset: 3_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "213.016" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "213.103" RELATED MASS [KEGG_COMPOUND] synonym: "C5H10O7PR" RELATED FORMULA [KEGG_COMPOUND] synonym: "Mononucleotide" EXACT [KEGG_COMPOUND] synonym: "mononucleotides" RELATED [ChEBI] xref: KEGG:C02171 is_a: CHEBI:36976 ! nucleotide [Term] id: CHEBI:29101 name: sodium(1+) namespace: chebi_ontology alt_id: CHEBI:26717 alt_id: CHEBI:49766 alt_id: CHEBI:9175 def: "A monoatomic monocation obtained from sodium." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "22.98977" RELATED MASS [ChEBI] synonym: "22.990" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Na+]" RELATED SMILES [ChEBI] synonym: "FKNQFGJONOIPTF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Na/q+1" RELATED InChI [ChEBI] synonym: "Na" RELATED FORMULA [KEGG_COMPOUND] synonym: "Na(+)" RELATED [UniProt] synonym: "Na(+)" RELATED [IUPAC] synonym: "Na+" RELATED [KEGG_COMPOUND] synonym: "sodium cation" EXACT IUPAC_NAME [IUPAC] synonym: "SODIUM ION" RELATED [PDBeChem] synonym: "sodium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "sodium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "sodium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:17341-25-2 "ChemIDplus" xref: Gmelin:15196 "Gmelin" xref: KEGG:C01330 xref: PDBeChem:NA is_a: CHEBI:25414 ! monoatomic monocation is_a: CHEBI:33504 ! alkali metal cation is_a: CHEBI:37246 ! elemental sodium is_a: CHEBI:60242 ! monovalent inorganic cation relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:29103 name: potassium(1+) namespace: chebi_ontology alt_id: CHEBI:26219 alt_id: CHEBI:49685 alt_id: CHEBI:8345 def: "A monoatomic monocation obtained from potassium." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "38.964" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "39.09830" RELATED MASS [ChEBI] synonym: "[K+]" RELATED SMILES [ChEBI] synonym: "InChI=1S/K/q+1" RELATED InChI [ChEBI] synonym: "K" RELATED FORMULA [KEGG_COMPOUND] synonym: "K(+)" RELATED [UniProt] synonym: "K(+)" RELATED [IUPAC] synonym: "K+" RELATED [KEGG_COMPOUND] synonym: "NPYPAHLBTDXSSS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "potassium cation" EXACT IUPAC_NAME [IUPAC] synonym: "POTASSIUM ION" RELATED [PDBeChem] synonym: "potassium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "potassium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "potassium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:24203-36-9 "NIST Chemistry WebBook" xref: Gmelin:15203 "Gmelin" xref: KEGG:C00238 xref: KEGG:D08403 xref: PDBeChem:K is_a: CHEBI:25414 ! monoatomic monocation is_a: CHEBI:33504 ! alkali metal cation is_a: CHEBI:37247 ! elemental potassium is_a: CHEBI:60242 ! monovalent inorganic cation relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:29105 name: zinc(2+) namespace: chebi_ontology alt_id: CHEBI:10113 alt_id: CHEBI:27368 alt_id: CHEBI:49972 alt_id: CHEBI:49982 subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "63.929" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "65.39000" RELATED MASS [ChEBI] synonym: "[Zn++]" RELATED SMILES [ChEBI] synonym: "dietary zinc" RELATED [ChEBI] synonym: "InChI=1S/Zn/q+2" RELATED InChI [ChEBI] synonym: "PTFCDOFLOPIGGS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "zinc cation" RELATED [IUPAC] synonym: "ZINC ION" RELATED [PDBeChem] synonym: "zinc(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "zinc(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "zinc(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "zinc, ion (Zn2+)" RELATED [ChemIDplus] synonym: "Zn" RELATED FORMULA [KEGG_COMPOUND] synonym: "Zn(2+)" RELATED [UniProt] synonym: "Zn(2+)" RELATED [IUPAC] synonym: "Zn(II)" RELATED [KEGG_COMPOUND] synonym: "Zn2+" RELATED [KEGG_COMPOUND] xref: CAS:23713-49-7 "ChemIDplus" xref: Gmelin:6869 "Gmelin" xref: KEGG:C00038 xref: PDBeChem:ZN is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation is_a: CHEBI:63056 ! zinc cation relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:29192 name: hydrogenperoxide(1-) namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "32.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "33.00674" RELATED MASS [ChEBI] synonym: "[H]O[O-]" RELATED SMILES [ChEBI] synonym: "[HO2](-)" RELATED [ChEBI] synonym: "dioxidanide" EXACT IUPAC_NAME [IUPAC] synonym: "HO2" RELATED FORMULA [ChEBI] synonym: "HO2(-)" RELATED [IUPAC] synonym: "HOO anion" RELATED [NIST_Chemistry_WebBook] synonym: "HOO(-)" RELATED [ChEBI] synonym: "hydrogen(peroxide)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogendioxide(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenperoxide(1-)" EXACT [IUPAC] synonym: "InChI=1S/H2O2/c1-2/h1-2H/p-1" RELATED InChI [ChEBI] synonym: "MHAJPDPJQMAIIY-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: CAS:14691-59-9 "NIST Chemistry WebBook" xref: Gmelin:507 "Gmelin" is_a: CHEBI:33693 ! oxygen hydride relationship: is_conjugate_base_of CHEBI:16240 ! hydrogen peroxide [Term] id: CHEBI:29195 name: cyanate namespace: chebi_ontology alt_id: CHEBI:14037 alt_id: CHEBI:23419 subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "41.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "42.01684" RELATED MASS [ChEBI] synonym: "[C(N)O](-)" RELATED [IUPAC] synonym: "[O-]C#N" RELATED SMILES [ChEBI] synonym: "CNO" RELATED FORMULA [ChEBI] synonym: "Cyanat" RELATED [ChEBI] synonym: "cyanate" EXACT [UniProt] synonym: "cyanate" EXACT IUPAC_NAME [IUPAC] synonym: "cyanate ion" RELATED [ChemIDplus] synonym: "InChI=1S/CHNO/c2-1-3/h3H/p-1" RELATED InChI [ChEBI] synonym: "nitridooxidocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "OCN(-)" RELATED [IUPAC] synonym: "XLJMAIOERFSOGZ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "Zyanat" RELATED [ChEBI] xref: CAS:661-20-1 "UM-BBD" xref: CAS:71000-82-3 "ChemIDplus" xref: KEGG:C01417 "ChEBI" xref: UM-BBD_compID:c0568 "UM-BBD" is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36828 ! pseudohalide anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28024 ! cyanic acid relationship: is_conjugate_base_of CHEBI:29202 ! isocyanic acid [Term] id: CHEBI:29202 name: isocyanic acid namespace: chebi_ontology def: "A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "43.006" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "43.02478" RELATED MASS [ChEBI] synonym: "[C(NH)O]" RELATED [IUPAC] synonym: "carbimide" RELATED [ChEBI] synonym: "CHNO" RELATED FORMULA [ChEBI] synonym: "HN=C=O" RELATED [NIST_Chemistry_WebBook] synonym: "HNCO" RELATED [IUPAC] synonym: "hydrogen isocyanate" RELATED [NIST_Chemistry_WebBook] synonym: "ICA" RELATED [ChEBI] synonym: "InChI=1S/CHNO/c2-1-3/h2H" RELATED InChI [ChEBI] synonym: "isocyanic acid" EXACT IUPAC_NAME [IUPAC] synonym: "isocyansaeure" RELATED [ChEBI] synonym: "isozyansaeure" RELATED [ChEBI] synonym: "methenamide" RELATED [ChEBI] synonym: "N=C=O" RELATED SMILES [ChEBI] synonym: "OWIKHYCFFJSOEH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "oxidoazanediidocarbon" RELATED [IUPAC] xref: Beilstein:1616281 "Beilstein" xref: CAS:75-13-8 "ChemIDplus" xref: Gmelin:840 "Gmelin" xref: PMID:19494520 "Europe PMC" xref: PMID:26124058 "Europe PMC" xref: PMID:26760716 "Europe PMC" xref: PMID:977566 "Europe PMC" xref: Reaxys:1616281 "Reaxys" is_a: CHEBI:33405 ! hydracid is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:29195 ! cyanate relationship: is_tautomer_of CHEBI:28024 ! cyanic acid [Term] id: CHEBI:29214 name: sulfonic acid namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "81.972" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "82.08008" RELATED MASS [ChEBI] synonym: "[H]S(O)(=O)=O" RELATED SMILES [ChEBI] synonym: "[SHO2(OH)]" RELATED [IUPAC] synonym: "acide sulfonique" RELATED [ChEBI] synonym: "BDHFUVZGWQCTTF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "H2O3S" RELATED FORMULA [ChEBI] synonym: "HSHO3" RELATED [IUPAC] synonym: "hydridohydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)" RELATED InChI [ChEBI] synonym: "sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfonsaeure" RELATED [ChEBI] synonym: "sulphonic acid" RELATED [ChEBI] xref: Gmelin:1404640 "Gmelin" is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:33543 ! sulfonate relationship: is_tautomer_of CHEBI:48854 ! sulfurous acid [Term] id: CHEBI:29222 name: hypochlorite namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "50.964" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "51.45210" RELATED MASS [ChEBI] synonym: "[ClO](-)" RELATED [IUPAC] synonym: "[O-]Cl" RELATED SMILES [ChEBI] synonym: "ClO" RELATED FORMULA [ChEBI] synonym: "ClO(-)" RELATED [IUPAC] synonym: "Hypochlorit" RELATED [ChEBI] synonym: "hypochlorite" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/ClO/c1-2/q-1" RELATED InChI [ChEBI] synonym: "oxidochlorate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "WQYVRQLZKVEZGA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:14380-61-1 "ChemIDplus" xref: Gmelin:682 "Gmelin" xref: Wikipedia:Hypochlorite is_a: CHEBI:33437 ! chlorine oxoanion is_a: CHEBI:37750 ! chlorine oxide is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_base_of CHEBI:24757 ! hypochlorous acid [Term] id: CHEBI:29256 name: thiol namespace: chebi_ontology alt_id: CHEBI:13443 alt_id: CHEBI:13696 alt_id: CHEBI:17366 alt_id: CHEBI:26969 alt_id: CHEBI:8766 alt_id: CHEBI:9556 def: "An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "32.980" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "33.07300" RELATED MASS [ChEBI] synonym: "a thiol" RELATED [UniProt] synonym: "HSR" RELATED FORMULA [ChEBI] synonym: "Mercaptan" RELATED [KEGG_COMPOUND] synonym: "mercaptans" RELATED [ChEBI] synonym: "Merkaptan" RELATED [ChEBI] synonym: "RSH" RELATED [IUPAC] synonym: "S[*]" RELATED SMILES [ChEBI] synonym: "Thiol" EXACT [KEGG_COMPOUND] synonym: "thiols" EXACT IUPAC_NAME [IUPAC] synonym: "thiols" RELATED [ChEBI] xref: KEGG:C00145 xref: Wikipedia:Thiol is_a: CHEBI:33261 ! organosulfur compound relationship: has_part CHEBI:29917 ! thiol group [Term] id: CHEBI:29258 name: dihydrogenphosphite namespace: chebi_ontology def: "A monovalent inorganic anion obtained by deprotonation of phosphorous acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "80.974" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "80.98784" RELATED MASS [ChEBI] synonym: "[H]OP([O-])O[H]" RELATED SMILES [ChEBI] synonym: "[PO(OH)2] (-)" RELATED [IUPAC] synonym: "BLBIZNCSZLTDPW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "dihydrogen phosphite" RELATED [ChEBI] synonym: "dihydrogen(trioxidophosphate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogenphosphite" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidooxidophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2O3P" RELATED FORMULA [ChEBI] synonym: "H2PO3(-)" RELATED [IUPAC] synonym: "InChI=1S/H2O3P/c1-4(2)3/h1-2H/q-1" RELATED InChI [ChEBI] xref: Gmelin:558293 "Gmelin" is_a: CHEBI:26045 ! phosphite ion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:29259 ! hydrogenphosphite relationship: is_conjugate_base_of CHEBI:36361 ! phosphorous acid [Term] id: CHEBI:29259 name: hydrogenphosphite namespace: chebi_ontology def: "A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "79.966" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "79.97990" RELATED MASS [ChEBI] synonym: "[H]OP([O-])[O-]" RELATED SMILES [ChEBI] synonym: "[PO2(OH)](2-)" RELATED [IUPAC] synonym: "GBHRVZIGDIUCJB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "HO3P" RELATED FORMULA [ChEBI] synonym: "HPO3(2-)" RELATED [IUPAC] synonym: "hydrogen phosphite" RELATED [IUPAC] synonym: "hydrogen(trioxidophosphate)(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenphosphite" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/HO3P/c1-4(2)3/h1H/q-2" RELATED InChI [ChEBI] xref: Gmelin:323302 "Gmelin" is_a: CHEBI:26045 ! phosphite ion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_acid_of CHEBI:45064 ! phosphite(3-) relationship: is_conjugate_base_of CHEBI:29258 ! dihydrogenphosphite [Term] id: CHEBI:29287 name: gold atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "196.96655" RELATED MASS [ChEBI] synonym: "196.967" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "79Au" RELATED [IUPAC] synonym: "[Au]" RELATED SMILES [ChEBI] synonym: "Au" RELATED [IUPAC] synonym: "Au" RELATED FORMULA [ChEBI] synonym: "aurum" RELATED [IUPAC] synonym: "Gold" RELATED [ChEBI] synonym: "gold" EXACT IUPAC_NAME [IUPAC] synonym: "gold" RELATED [ChEBI] synonym: "InChI=1S/Au" RELATED InChI [ChEBI] synonym: "or" RELATED [ChEBI] synonym: "oro" RELATED [ChEBI] synonym: "PCHJSUWPFVWCPO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7440-57-5 "ChemIDplus" xref: WebElements:Au is_a: CHEBI:33366 ! copper group element atom [Term] id: CHEBI:29320 name: calcium(0) namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "39.963" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "40.07800" RELATED MASS [ChEBI] synonym: "[Ca]" RELATED SMILES [ChEBI] synonym: "Ca" RELATED FORMULA [ChEBI] synonym: "Ca(0)" RELATED [ChEBI] synonym: "calcium" EXACT IUPAC_NAME [IUPAC] synonym: "calcium(0)" EXACT [IUPAC] synonym: "Can" RELATED [IUPAC] synonym: "InChI=1S/Ca" RELATED InChI [ChEBI] synonym: "OYPRJOBELJOOCE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:4241647 "Beilstein" xref: CAS:7440-70-2 "NIST Chemistry WebBook" xref: Gmelin:16277 "Gmelin" is_a: CHEBI:35155 ! elemental calcium [Term] id: CHEBI:29321 name: sodium nitroprusside namespace: chebi_ontology def: "An organic sodium salt that is the disodium salt of nitroprusside." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "261.91788" RELATED MASS [ChEBI] synonym: "261.928" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[Na+].[Na+].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N" RELATED SMILES [ChEBI] synonym: "C5FeN6Na2O" RELATED FORMULA [ChEBI] synonym: "disodium pentacyanidonitrosylferrate" RELATED [IUPAC] synonym: "FPWUWQVZUNFZQM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q;;;;;2*-1;2*+1" RELATED InChI [ChEBI] synonym: "Na2[Fe(CN)5(NO)]" RELATED [IUPAC] synonym: "Sodium nitroprusside anhydrous" RELATED [ChemIDplus] synonym: "sodium pentacyanidonitrosylferrate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "sodium pentacyanidonitrosylferrate(III)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14402-89-2 "ChemIDplus" is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:7596 ! nitroprusside relationship: has_role CHEBI:50566 ! nitric oxide donor [Term] id: CHEBI:29337 name: azanide namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "16.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "16.02262" RELATED MASS [ChEBI] synonym: "[H][N-][H]" RELATED SMILES [ChEBI] synonym: "amide" EXACT IUPAC_NAME [IUPAC] synonym: "azanide" EXACT IUPAC_NAME [IUPAC] synonym: "dihydridonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2N" RELATED FORMULA [ChEBI] synonym: "HYGWNUKOUCZBND-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/H2N/h1H2/q-1" RELATED InChI [ChEBI] synonym: "NH2(-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:29340 ! hydridonitrate(2-) relationship: is_conjugate_base_of CHEBI:16134 ! ammonia [Term] id: CHEBI:29340 name: hydridonitrate(2-) namespace: chebi_ontology def: "A divalent inorganic anion resulting from the removal of two protons from ammonia." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "15.011" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "15.01468" RELATED MASS [ChEBI] synonym: "[N--][H]" RELATED SMILES [ChEBI] synonym: "azanediide" EXACT IUPAC_NAME [IUPAC] synonym: "DZQYTNGKSBCIOE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "HN" RELATED FORMULA [ChEBI] synonym: "hydridonitrate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "imide" RELATED [IUPAC] synonym: "InChI=1S/HN/h1H/q-2" RELATED InChI [ChEBI] synonym: "NH(2-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:29337 ! azanide [Term] id: CHEBI:29347 name: monocarboxylic acid amide namespace: chebi_ontology alt_id: CHEBI:13211 alt_id: CHEBI:22207 alt_id: CHEBI:25383 alt_id: CHEBI:6977 def: "A carboxamide derived from a monocarboxylic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "41.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "42.01680" RELATED MASS [ChEBI] synonym: "[*]N([*])C([*])=O" RELATED SMILES [ChEBI] synonym: "CNOR3" RELATED FORMULA [ChEBI] synonym: "monocarboxylic acid amides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:29360 name: methanediide namespace: chebi_ontology subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "14.016" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "14.02658" RELATED MASS [ChEBI] synonym: "[CH2](2-)" RELATED [ChEBI] synonym: "[H][C--][H]" RELATED SMILES [ChEBI] synonym: "CH2" RELATED FORMULA [ChEBI] synonym: "CH2(2-)" RELATED [IUPAC] synonym: "dihydridocarbonate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/CH2/h1H2/q-2" RELATED InChI [ChEBI] synonym: "methanediide" EXACT IUPAC_NAME [IUPAC] synonym: "PZPOWPOFQLSNJO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:5915711 "Beilstein" xref: Gmelin:322698 "Gmelin" is_a: CHEBI:38222 ! hydrocarbyl anion relationship: is_conjugate_base_of CHEBI:29438 ! methanide [Term] id: CHEBI:29369 name: peroxy group namespace: chebi_ontology subset: 3_STAR synonym: "-OO-" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "31.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "31.99880" RELATED MASS [ChEBI] synonym: "O2" RELATED FORMULA [ChEBI] synonym: "peroxy" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33246 ! inorganic group [Term] id: CHEBI:29371 name: dioxygen(2+) namespace: chebi_ontology subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "31.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "31.99880" RELATED MASS [ChEBI] synonym: "[O+]#[O+]" RELATED SMILES [ChEBI] synonym: "[O2](2+)" RELATED [ChEBI] synonym: "dioxidanebis(ylium)" RELATED [IUPAC] synonym: "dioxygen(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/O2/c1-2/q+2" RELATED InChI [ChEBI] synonym: "NIWXMCONPJOXBL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "O2" RELATED FORMULA [ChEBI] synonym: "O2(2+)" RELATED [IUPAC] xref: Gmelin:48980 "Gmelin" is_a: CHEBI:33263 ! diatomic oxygen [Term] id: CHEBI:29438 name: methanide namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "15.023" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "15.03452" RELATED MASS [ChEBI] synonym: "[CH3](-)" RELATED [ChEBI] synonym: "[H][C-]([H])[H]" RELATED SMILES [ChEBI] synonym: "CH3" RELATED FORMULA [ChEBI] synonym: "CH3(-)" RELATED [IUPAC] synonym: "InChI=1S/CH3/h1H3/q-1" RELATED InChI [ChEBI] synonym: "lambda(2)-methanuide" RELATED [IUPAC] synonym: "LGRLWUINFJPLSH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "methanide" EXACT IUPAC_NAME [IUPAC] synonym: "methyl anion" RELATED [IUPAC] synonym: "trihydridocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1813938 "Beilstein" xref: CAS:15194-58-8 "NIST Chemistry WebBook" xref: Gmelin:259263 "Gmelin" is_a: CHEBI:38222 ! hydrocarbyl anion relationship: is_conjugate_acid_of CHEBI:29360 ! methanediide relationship: is_conjugate_base_of CHEBI:16183 ! methane [Term] id: CHEBI:2956 name: azlocillin namespace: chebi_ontology alt_id: CHEBI:63225 def: "A semisynthetic penicillin antibiotic used in treating infections caused by Pseudomonas aeruginosa, Escherichia coli, and Haemophilus influenzae." [] subset: 3_STAR synonym: "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,2-dimethyl-6beta-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "461.137" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "461.49200" RELATED MASS [ChEBI] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@]([H])(NC(=O)N1CCNC1=O)c1ccccc1)C(O)=O" RELATED SMILES [ChEBI] synonym: "azlocilina" RELATED INN [ChemIDplus] synonym: "azlocillin" RELATED INN [KEGG_DRUG] synonym: "azlocilline" RELATED INN [ChemIDplus] synonym: "azlocillinum" RELATED INN [ChemIDplus] synonym: "C20H23N5O6S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1" RELATED InChI [ChEBI] synonym: "JTWOMNBEOCYFNV-NFFDBFGFSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:5785146 "Beilstein" xref: CAS:37091-66-0 "ChemIDplus" xref: colombos:AZLOCILLIN xref: Drug_Central:277 "DrugCentral" xref: DrugBank:DB01061 xref: KEGG:C06839 xref: KEGG:D02339 xref: LINCS:LSM-15179 xref: Patent:CN101585844 xref: Patent:FR2100682 xref: Patent:US3933795 xref: PMID:11036013 "Europe PMC" xref: PMID:11397088 "Europe PMC" xref: PMID:19292999 "Europe PMC" xref: PMID:20363776 "Europe PMC" xref: PMID:2068466 "Europe PMC" xref: PMID:21219695 "Europe PMC" xref: PMID:21360610 "Europe PMC" xref: PMID:21883661 "Europe PMC" xref: PMID:6212725 "Europe PMC" xref: PMID:6231603 "Europe PMC" xref: PMID:6289737 "Europe PMC" xref: PMID:6810286 "Europe PMC" xref: Reaxys:5785146 "Reaxys" xref: Wikipedia:Azlocillin is_a: CHEBI:17334 ! penicillin is_a: CHEBI:72588 ! semisynthetic derivative relationship: has_role CHEBI:36047 ! antibacterial drug relationship: is_conjugate_acid_of CHEBI:51863 ! azlocillin(1-) [Term] id: CHEBI:29640 name: N-(3-oxohexanoyl)homoserine lactone namespace: chebi_ontology def: "A N-acyl homoserine lactone that is the monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-oxohexanoic acid with the amino group of homoserine lactone." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "213.100" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "213.23040" RELATED MASS [ChEBI] synonym: "3-oxo-C6-AHL" RELATED [ChEBI] synonym: "3-oxo-N-(2-oxotetrahydrofuran-3-yl)hexanamide" EXACT IUPAC_NAME [IUPAC] synonym: "3-oxo-N-(tetrahydro-2-oxo-3-furanyl)hexanamide" RELATED [ChemIDplus] synonym: "AI-1 (Vibrio fischeri)" RELATED [MetaCyc] synonym: "AI-1 lactone" RELATED [ChemIDplus] synonym: "Autoinducer 1" RELATED [ChemIDplus] synonym: "C10H15NO4" RELATED FORMULA [ChEBI] synonym: "CCCC(=O)CC(=O)NC1CCOC1=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)" RELATED InChI [ChEBI] synonym: "Luciferase autoinducer" RELATED [ChemIDplus] synonym: "N-(3-oxohexanoyl)-3-aminodihydro-2(3H)-furanone" RELATED [ChemIDplus] synonym: "N-(3-Oxohexanoyl)homoserine lactone" EXACT [KEGG_COMPOUND] synonym: "N-(3-oxohexanoyl)homoserine lactone" EXACT [ChemIDplus] synonym: "N-(beta-ketocapryloyl)-homoserine lactone" RELATED [ChEBI] synonym: "YRYOXRMDHALAFL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:76924-95-3 "ChemIDplus" xref: KEGG:C11839 xref: MetaCyc:CPD-10780 xref: PMID:7236614 "Europe PMC" xref: Reaxys:13576940 "Reaxys" is_a: CHEBI:83169 ! N-acyl homoserine lactone relationship: has_functional_parent CHEBI:28422 ! 3-oxohexanoic acid [Term] id: CHEBI:29678 name: sodium arsenite namespace: chebi_ontology def: "An inoganic sodium salt with formula with formula NaAsO2." [] subset: 3_STAR synonym: "(NaAsO2)n" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "129.901" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "129.91020" RELATED MASS [ChEBI] synonym: "[Na+].[O-][As]=O" RELATED SMILES [ChEBI] synonym: "AsNaO2" RELATED FORMULA [ChEBI] synonym: "catena-poly[(oxidoarsenate-mu-oxido)]sodium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1" RELATED InChI [ChEBI] synonym: "Na(+)n-(-As(O(-))O-)-n" RELATED [ChEBI] synonym: "NaAsO2" RELATED [ChEBI] synonym: "PTLRDCMBXHILCL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "Sodium arsenite" EXACT [KEGG_COMPOUND] synonym: "Sodium dioxoarsenate" RELATED [KEGG_COMPOUND] synonym: "sodium meta-arsenite" RELATED [ChEBI] synonym: "sodium metaarsenite" RELATED [ChemIDplus] xref: CAS:7784-46-5 "KEGG COMPOUND" xref: KEGG:C11906 xref: MetaCyc:CPD0-1496 xref: PMID:17070520 "Europe PMC" xref: PMID:19131511 "Europe PMC" xref: PMID:20423156 "Europe PMC" xref: PMID:20598115 "Europe PMC" xref: PMID:23194016 "Europe PMC" xref: PMID:23694735 "Europe PMC" xref: PMID:24004876 "Europe PMC" xref: PMID:24100277 "Europe PMC" xref: PMID:24519527 "Europe PMC" xref: PMID:9580875 "Europe PMC" xref: PMID:9649501 "Europe PMC" xref: Reaxys:14201303 "Reaxys" xref: Reaxys:16472677 "Reaxys" xref: Wikipedia:Sodium_arsenite is_a: CHEBI:22632 ! arsenic molecular entity is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:33288 ! rodenticide relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:50903 ! carcinogenic agent [Term] id: CHEBI:29746 name: glycocholate namespace: chebi_ontology alt_id: CHEBI:14345 alt_id: CHEBI:24377 alt_id: CHEBI:58235 def: "A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "464.301" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "464.61482" RELATED MASS [ChEBI] synonym: "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O" RELATED SMILES [ChEBI] synonym: "C26H42NO6" RELATED FORMULA [ChEBI] synonym: "glycocholate" EXACT [UniProt] synonym: "InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1" RELATED InChI [ChEBI] synonym: "N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate" EXACT IUPAC_NAME [IUPAC] synonym: "RFDAIACWWDREDC-FRVQLJSFSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3739464 "Beilstein" xref: DrugBank:DB02691 xref: KEGG:C01921 "ChEBI" xref: Reaxys:3739464 "Reaxys" is_a: CHEBI:131879 ! cholanic acid conjugate anion is_a: CHEBI:57670 ! N-acylglycinate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17687 ! glycocholic acid [Term] id: CHEBI:29747 name: cholate namespace: chebi_ontology alt_id: CHEBI:11895 alt_id: CHEBI:13978 alt_id: CHEBI:20216 alt_id: CHEBI:23168 alt_id: CHEBI:57748 def: "A bile acid anion that is the conjugate base of cholic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate" RELATED [ChEBI] synonym: "407.280" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "407.56346" RELATED MASS [ChEBI] synonym: "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O" RELATED SMILES [ChEBI] synonym: "BHQCQFFYRZLCQQ-OELDTZBJSA-M" RELATED InChIKey [ChEBI] synonym: "C24H39O5" RELATED FORMULA [ChEBI] synonym: "cholate" EXACT [UniProt] synonym: "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1" RELATED InChI [ChEBI] xref: Beilstein:3915750 "Beilstein" xref: Reaxys:3915750 "Reaxys" is_a: CHEBI:131878 ! cholanic acid anion relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16359 ! cholic acid [Term] id: CHEBI:29785 name: nitro group namespace: chebi_ontology subset: 3_STAR synonym: "-NO2" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "45.993" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "46.00550" RELATED MASS [ChEBI] synonym: "nitro" EXACT IUPAC_NAME [IUPAC] synonym: "NO2" RELATED FORMULA [ChEBI] is_a: CHEBI:33246 ! inorganic group is_a: CHEBI:51144 ! nitrogen group [Term] id: CHEBI:29793 name: hydridodioxygen(1+) namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "32.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "33.00674" RELATED MASS [ChEBI] synonym: "[H][O+]=O" RELATED SMILES [ChEBI] synonym: "[HO2](+)" RELATED [ChEBI] synonym: "dioxidenium" EXACT IUPAC_NAME [IUPAC] synonym: "HO2" RELATED FORMULA [ChEBI] synonym: "HO2(+)" RELATED [IUPAC] synonym: "HOO(+)" RELATED [ChEBI] synonym: "hydridodioxygen(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/O2/c1-2/p+1" RELATED InChI [ChEBI] synonym: "MYMOFIZGZYHOMD-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:508 "Gmelin" is_a: CHEBI:33693 ! oxygen hydride relationship: is_conjugate_acid_of CHEBI:15379 ! dioxygen [Term] id: CHEBI:29805 name: glycolate namespace: chebi_ontology alt_id: CHEBI:14348 alt_id: CHEBI:24388 def: "A hydroxy monocarboxylic acid anion that is acetate where the methyl group has been hydroxylated." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "75.008" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "75.04342" RELATED MASS [ChEBI] synonym: "AEMRFAOFKBGASW-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "C2H3O3" RELATED FORMULA [ChEBI] synonym: "glycolate" EXACT [UniProt] synonym: "hydroxyacetate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/p-1" RELATED InChI [ChEBI] synonym: "OCC([O-])=O" RELATED SMILES [ChEBI] xref: CAS:666-14-8 "Reaxys" xref: DrugBank:DB03085 xref: KEGG:C00160 "ChEBI" xref: MetaCyc:GLYCOLLATE xref: PMID:17190852 "Europe PMC" xref: PMID:22093610 "Europe PMC" xref: PMID:22207577 "Europe PMC" xref: PMID:22268146 "Europe PMC" xref: PMID:22327578 "Europe PMC" xref: PMID:22394389 "Europe PMC" xref: PMID:22446032 "Europe PMC" xref: Reaxys:3903689 "Reaxys" xref: UM-BBD_compID:c0008 "ChEBI" is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: has_functional_parent CHEBI:30089 ! acetate relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_base_of CHEBI:17497 ! glycolic acid [Term] id: CHEBI:29806 name: fumarate(2-) namespace: chebi_ontology alt_id: CHEBI:14284 alt_id: CHEBI:24122 alt_id: CHEBI:42511 def: "A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)" [] subset: 3_STAR synonym: "(2E)-but-2-enedioate" EXACT IUPAC_NAME [IUPAC] synonym: "(2E)-but-2-enedioate" RELATED [ChEBI] synonym: "(E)-2-butenedioic acid, ion(2-)" RELATED [ChemIDplus] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "113.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "114.05628" RELATED MASS [ChEBI] synonym: "[O-]C(=O)\\C=C\\C([O-])=O" RELATED SMILES [ChEBI] synonym: "C4H2O4" RELATED FORMULA [ChEBI] synonym: "FUMARATE" RELATED [PDBeChem] synonym: "fumarate" RELATED [UniProt] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+" RELATED InChI [ChEBI] synonym: "VZCYOOQTPOCHFL-OWOJBTEDSA-L" RELATED InChIKey [ChEBI] xref: Beilstein:1861276 "Beilstein" xref: CAS:142-42-7 "ChemIDplus" xref: DrugBank:DB01677 xref: Gmelin:325288 "Gmelin" xref: KEGG:C00122 "ChEBI" xref: MetaCyc:FUM xref: PDBeChem:FMR xref: PMID:15618158 "Europe PMC" xref: PMID:16857679 "Europe PMC" xref: PMID:17190852 "Europe PMC" xref: PMID:22052553 "Europe PMC" xref: PMID:22405071 "Europe PMC" xref: Reaxys:1861276 "Reaxys" xref: UM-BBD_compID:c0111 "ChEBI" is_a: CHEBI:36180 ! butenedioate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:37154 ! fumarate(1-) [Term] id: CHEBI:29864 name: mannitol namespace: chebi_ontology alt_id: CHEBI:14574 alt_id: CHEBI:25163 def: "A hexitol produced by a variety of organisms including bacteria, fungi, lichens and plants." [] subset: 3_STAR synonym: "C6H14O6" RELATED FORMULA [ChEBI] synonym: "mannitol" EXACT IUPAC_NAME [IUPAC] synonym: "mannitol" EXACT [UniProt] xref: PMID:24269997 "Europe PMC" xref: PMID:24323504 "Europe PMC" xref: PMID:24374122 "Europe PMC" xref: PMID:24861101 "Europe PMC" xref: Wikipedia:Mannitol is_a: CHEBI:24583 ! hexitol relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:29917 name: thiol group namespace: chebi_ontology alt_id: CHEBI:26821 alt_id: CHEBI:29916 subset: 3_STAR synonym: "-SH" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "32.980" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "33.07394" RELATED MASS [ChEBI] synonym: "HS" RELATED FORMULA [ChEBI] synonym: "HS-" RELATED [IUPAC] synonym: "mercapto group" RELATED [ChEBI] synonym: "Mercaptogruppe" RELATED [ChEBI] synonym: "Merkaptogruppe" RELATED [ChEBI] synonym: "sulfanyl" EXACT IUPAC_NAME [IUPAC] synonym: "sulfhydryl group" RELATED [ChEBI] synonym: "Sulfhydrylgruppe" RELATED [ChEBI] synonym: "sulphydryl group" RELATED [ChEBI] synonym: "thiol" EXACT IUPAC_NAME [IUPAC] synonym: "thiol group" EXACT [UniProt] synonym: "Thiolgruppe" RELATED [ChEBI] is_a: CHEBI:33246 ! inorganic group relationship: is_substituent_group_from CHEBI:16136 ! hydrogen sulfide [Term] id: CHEBI:29919 name: hydrosulfide namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "32.980" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "33.07394" RELATED MASS [ChEBI] synonym: "[S-][H]" RELATED SMILES [ChEBI] synonym: "HS" RELATED FORMULA [ChEBI] synonym: "HS anion" RELATED [NIST_Chemistry_WebBook] synonym: "HS(-)" RELATED [IUPAC] synonym: "hydrogen sulfide" RELATED [UniProt] synonym: "hydrogen(sulfide)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrosulfide" EXACT [IUPAC] synonym: "InChI=1S/H2S/h1H2/p-1" RELATED InChI [ChEBI] synonym: "RWSOTUBLDIXVET-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "sulfanide" EXACT IUPAC_NAME [IUPAC] xref: CAS:15035-72-0 "ChemIDplus" xref: Gmelin:24766 "Gmelin" is_a: CHEBI:33535 ! sulfur hydride relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:15138 ! sulfide(2-) relationship: is_conjugate_base_of CHEBI:16136 ! hydrogen sulfide [Term] id: CHEBI:29922 name: sulfo group namespace: chebi_ontology subset: 3_STAR synonym: "-S(O)2(OH)" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "80.965" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "81.07214" RELATED MASS [ChEBI] synonym: "HO3S" RELATED FORMULA [ChEBI] synonym: "hydroxydioxo-lambda(6)-sulfanyl" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxysulfonyl" EXACT IUPAC_NAME [IUPAC] synonym: "sulfo" EXACT IUPAC_NAME [IUPAC] synonym: "SULFO GROUP" EXACT [PDBeChem] xref: PDBeChem:SFO is_a: CHEBI:33246 ! inorganic group relationship: is_substituent_group_from CHEBI:29214 ! sulfonic acid [Term] id: CHEBI:29924 name: hydrogenselenite namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "127.96614" RELATED MASS [ChEBI] synonym: "128.909" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[SeO2(OH)](-)" RELATED [IUPAC] synonym: "HO3Se" RELATED FORMULA [ChEBI] synonym: "HSeO3(-)" RELATED [IUPAC] synonym: "hydrogen selenite" RELATED [ChemIDplus] synonym: "hydrogenselenite(1-)" RELATED [IUPAC] synonym: "hydroxidodioxidoselenate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-1" RELATED InChI [ChEBI] synonym: "MCAHWIHFGHIESP-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "O[Se]([O-])=O" RELATED SMILES [ChEBI] xref: CAS:20638-10-2 "ChemIDplus" xref: Gmelin:164165 "Gmelin" is_a: CHEBI:33488 ! selenium oxoanion relationship: is_conjugate_acid_of CHEBI:18212 ! selenite(2-) relationship: is_conjugate_base_of CHEBI:26642 ! selenous acid [Term] id: CHEBI:29995 name: aspartate(2-) namespace: chebi_ontology def: "A C4-dicarboxylate that is the dianion obtained by the deprotonation of both the carboxy groups of aspartic acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "131.022" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "131.08684" RELATED MASS [ChEBI] synonym: "2-aminobutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "2-aminosuccinate" RELATED [ChEBI] synonym: "aspartate" EXACT IUPAC_NAME [IUPAC] synonym: "aspartate(2-)" EXACT [JCBN] synonym: "aspartic acid dianion" RELATED [JCBN] synonym: "C4H5NO4" RELATED FORMULA [ChEBI] synonym: "CKLJMWTZIZZHCS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2" RELATED InChI [ChEBI] synonym: "NC(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] is_a: CHEBI:132943 ! aspartate is_a: CHEBI:61336 ! C4-dicarboxylate relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:35391 ! aspartate(1-) [Term] id: CHEBI:30031 name: succinate(2-) namespace: chebi_ontology alt_id: CHEBI:15125 alt_id: CHEBI:22941 alt_id: CHEBI:26803 def: "A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of succinic acid." [] subset: 3_STAR synonym: "(-)OOC-CH2-CH2-COO(-)" RELATED [ChEBI] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "116.011" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "116.07216" RELATED MASS [ChEBI] synonym: "[O-]C(=O)CCC([O-])=O" RELATED SMILES [ChEBI] synonym: "butanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "butanedioic acid, ion(2-)" RELATED [ChemIDplus] synonym: "C4H4O4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2" RELATED InChI [ChEBI] synonym: "KDYFGRWQOYBRFD-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "succinate" RELATED [UniProt] xref: Beilstein:1863859 "Beilstein" xref: CAS:56-14-4 "ChemIDplus" xref: Gmelin:240255 "Gmelin" xref: MetaCyc:SUC xref: PMID:17190852 "Europe PMC" xref: Reaxys:1863859 "Reaxys" xref: UM-BBD_compID:c0312 "ChEBI" is_a: CHEBI:26806 ! succinate is_a: CHEBI:61336 ! C4-dicarboxylate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30779 ! succinate(1-) [Term] id: CHEBI:30050 name: gold(0) namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "196.96655" RELATED MASS [ChEBI] synonym: "196.967" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[Au]" RELATED SMILES [ChEBI] synonym: "Au" RELATED FORMULA [ChEBI] synonym: "Au(0)" RELATED [ChEBI] synonym: "Aun" RELATED [IUPAC] synonym: "colloidal gold" RELATED [NIST_Chemistry_WebBook] synonym: "gold" EXACT IUPAC_NAME [IUPAC] synonym: "gold flake" RELATED [NIST_Chemistry_WebBook] synonym: "gold leaf" RELATED [NIST_Chemistry_WebBook] synonym: "gold(0)" EXACT [IUPAC] synonym: "InChI=1S/Au" RELATED InChI [ChEBI] synonym: "PCHJSUWPFVWCPO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7440-57-5 "NIST Chemistry WebBook" is_a: CHEBI:33970 ! elemental gold [Term] id: CHEBI:30087 name: guanidinium namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "60.056" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.07856" RELATED MASS [ChEBI] synonym: "[C(NH2)3](+)" RELATED [ChEBI] synonym: "CH6N3" RELATED FORMULA [ChEBI] synonym: "diaminomethaniminium" RELATED [IUPAC] synonym: "guanidine" RELATED [UniProt] synonym: "guanidinium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1" RELATED InChI [ChEBI] synonym: "NC(N)=[NH2+]" RELATED SMILES [ChEBI] synonym: "ZRALSGWEFCBTJO-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Beilstein:1902006 "Beilstein" xref: Gmelin:239627 "Gmelin" is_a: CHEBI:60251 ! guanidinium ion relationship: is_conjugate_acid_of CHEBI:42820 ! guanidine relationship: is_conjugate_acid_of CHEBI:616459 ! carbamimidoylazanium [Term] id: CHEBI:30089 name: acetate namespace: chebi_ontology alt_id: CHEBI:13704 alt_id: CHEBI:22165 alt_id: CHEBI:40480 def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "59.013" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "59.04402" RELATED MASS [ChEBI] synonym: "acetate" EXACT [UniProt] synonym: "acetate" EXACT IUPAC_NAME [IUPAC] synonym: "ACETATE ION" RELATED [PDBeChem] synonym: "acetic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Azetat" RELATED [ChEBI] synonym: "C2H3O2" RELATED FORMULA [ChEBI] synonym: "CC([O-])=O" RELATED SMILES [ChEBI] synonym: "CH3-COO(-)" RELATED [IUPAC] synonym: "Ethanoat" RELATED [ChEBI] synonym: "ethanoate" RELATED [ChEBI] synonym: "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1" RELATED InChI [ChEBI] synonym: "MeCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "QTBSBXVTEAMEQO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:1901470 "Beilstein" xref: CAS:71-50-1 "NIST Chemistry WebBook" xref: colombos:ACETATE xref: DrugBank:DB03166 xref: Gmelin:1379 "Gmelin" xref: KEGG:C00033 "ChEBI" xref: MetaCyc:ACET xref: PDBeChem:ACT xref: PMID:17190852 "Europe PMC" xref: PMID:22211106 "Europe PMC" xref: PMID:22371380 "Europe PMC" xref: Reaxys:1901470 "Reaxys" xref: UM-BBD_compID:c0050 "ChEBI" xref: Wikipedia:Acetate is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15366 ! acetic acid relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QTBSBXVTEAMEQO-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.04402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.013" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC([O-])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3020 name: benzalkonium chloride namespace: chebi_ontology def: "A class of quaternary ammonium chloride salts in which the nitrogen is substituted by a benzyl group, two methyl groups and an even-numbered alkyl chain." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "170.074" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "170.65900" RELATED MASS [ChEBI] synonym: "[Cl-].C[N+](C)([*])Cc1ccccc1" RELATED SMILES [ChEBI] synonym: "ADBAC" RELATED [ChEBI] synonym: "Alkyl dimethylbenzyl ammonium chloride" RELATED [ChemIDplus] synonym: "Alkylbenzyldimethylammonium chloride" RELATED [ChemIDplus] synonym: "Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides" RELATED [ChemIDplus] synonym: "Alkyldimethylbenzylammonium chloride" RELATED [ChemIDplus] synonym: "benzalkonii chloridum" RELATED INN [ChemIDplus] synonym: "Benzalkonium chloride" EXACT [KEGG_COMPOUND] synonym: "benzalkonium chloride" RELATED INN [KEGG_DRUG] synonym: "benzalkonium chlorides" RELATED [ChEBI] synonym: "C9H13ClNR" RELATED FORMULA [ChEBI] synonym: "chlorure de benzalkonium" RELATED INN [ChemIDplus] synonym: "cloruro de benzalconio" RELATED INN [ChemIDplus] xref: CAS:8001-54-5 "ChemIDplus" xref: colombos:BENZALKONIUM_CHLORIDE xref: KEGG:C08037 xref: KEGG:D00857 xref: PMID:17660979 "Europe PMC" xref: PMID:22692451 "Europe PMC" xref: PMID:23078159 "Europe PMC" xref: PMID:23102555 "Europe PMC" xref: PMID:23278376 "Europe PMC" xref: PMID:23439005 "Europe PMC" xref: PMID:23519403 "Europe PMC" xref: PMID:23542350 "Europe PMC" xref: PMID:23651563 "Europe PMC" xref: PMID:23682619 "Europe PMC" xref: PMID:23726247 "Europe PMC" xref: PMID:23792171 "Europe PMC" xref: PMID:23861389 "Europe PMC" xref: PMID:23892748 "Europe PMC" xref: PMID:23893017 "Europe PMC" xref: PMID:23987445 "Europe PMC" xref: PMID:23987991 "Europe PMC" xref: PMID:23991114 "Europe PMC" xref: PMID:7526642 "Europe PMC" is_a: CHEBI:35273 ! quaternary ammonium salt is_a: CHEBI:36094 ! organic chloride salt relationship: has_role CHEBI:27780 ! detergent relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:48219 ! disinfectant [Term] id: CHEBI:30297 name: antimonite namespace: chebi_ontology def: "A trivalent inorganic anion obtained by removal of all three protons from antimonous acid." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "168.889" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "169.75820" RELATED MASS [ChEBI] synonym: "[O-][Sb]([O-])[O-]" RELATED SMILES [ChEBI] synonym: "[SbO3](3-)" RELATED [ChEBI] synonym: "antimonite" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/3O.Sb/q3*-1;" RELATED InChI [ChEBI] synonym: "JXYAODGLKNBUTA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "O3Sb" RELATED FORMULA [ChEBI] synonym: "SbO3(3-)" RELATED [IUPAC] synonym: "trioxidoantimonate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxoantimonate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxoantimonate(III)" EXACT IUPAC_NAME [IUPAC] xref: PMID:17419726 "Europe PMC" is_a: CHEBI:36921 ! antimony oxoanion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:49870 ! antimonous acid [Term] id: CHEBI:30347 name: ethylenediamine namespace: chebi_ontology def: "An alkane-alpha,omega-diamine in which the alkane is ethane." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,2-ethanediamine" RELATED [IUPAC] synonym: "60.069" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.09840" RELATED MASS [ChEBI] synonym: "C2H8N2" RELATED FORMULA [ChEBI] synonym: "en" RELATED [IUPAC] synonym: "ethane-1,2-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "ethylenediamine" EXACT [IUPAC] synonym: "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" RELATED InChI [ChEBI] synonym: "NCCN" RELATED SMILES [ChEBI] synonym: "PIICEJLVQHRZGT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:605263 "Beilstein" xref: CAS:107-15-3 "NIST Chemistry WebBook" xref: Gmelin:1098 "Gmelin" xref: HMDB:HMDB31225 xref: KEGG:D01114 xref: MetaCyc:CPD-3682 xref: PDBeChem:EDN xref: PMID:21616561 "Europe PMC" xref: PMID:3692019 "Europe PMC" xref: PMID:7070713 "Europe PMC" xref: Reaxys:605263 "Reaxys" xref: Wikipedia:Ethylenediamine is_a: CHEBI:35411 ! alkane-alpha,omega-diamine relationship: has_parent_hydride CHEBI:42266 ! ethane relationship: has_role CHEBI:51373 ! GABA agonist [Term] id: CHEBI:30351 name: 2,2'-bipyridine namespace: chebi_ontology def: "A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "156.069" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "156.18400" RELATED MASS [ChEBI] synonym: "2,2'-Bipyridin" RELATED [ChemIDplus] synonym: "2,2'-bipyridine" EXACT IUPAC_NAME [IUPAC] synonym: "2,2'-bipyridyl" RELATED [IUPAC] synonym: "2,2'-dipyridine" RELATED [ChemIDplus] synonym: "2,2'-dipyridyl" RELATED [ChemIDplus] synonym: "2-(2-pyridyl)pyridine" RELATED [ChemIDplus] synonym: "alpha,alpha'-bipyridine" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,alpha'-bipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,alpha'-dipyridine" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,alpha'-dipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "bpy" RELATED [IUPAC] synonym: "C10H8N2" RELATED FORMULA [ChEBI] synonym: "c1ccc(nc1)-c1ccccn1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H" RELATED InChI [ChEBI] synonym: "ROFVEXUMMXZLPA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:113089 "Beilstein" xref: CAS:366-18-7 "ChemIDplus" xref: Gmelin:3720 "Gmelin" xref: Gmelin:936807 "Gmelin" xref: MetaCyc:CPD-8819 xref: PMID:11564534 "Europe PMC" xref: PMID:15998024 "Europe PMC" xref: Reaxys:113089 "Reaxys" xref: Wikipedia:2\,2%27-Bipyridine is_a: CHEBI:35545 ! bipyridine relationship: has_role CHEBI:52214 ! ligand [Term] id: CHEBI:30356 name: isobutyl group namespace: chebi_ontology subset: 3_STAR synonym: "(CH3)2CH-CH2-" RELATED [IUPAC] synonym: "-CH2-CH(CH3)2" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-methylpropan-1-ido" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropyl" EXACT IUPAC_NAME [IUPAC] synonym: "57.070" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "57.11426" RELATED MASS [ChEBI] synonym: "C4H9" RELATED FORMULA [ChEBI] synonym: "iBu" RELATED [CBN] synonym: "isobutyl" EXACT IUPAC_NAME [IUPAC] synonym: "leucine side-chain" RELATED [ChEBI] is_a: CHEBI:22323 ! alkyl group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:30363 ! isobutane [Term] id: CHEBI:30362 name: isopentane namespace: chebi_ontology def: "An alkane that is butane substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "(CH3)2CH-CH2-CH3" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,1,2-trimethylethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,1-dimethylpropane" RELATED [NIST_Chemistry_WebBook] synonym: "2-methylbutane" EXACT IUPAC_NAME [IUPAC] synonym: "72.094" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "72.14878" RELATED MASS [ChEBI] synonym: "C5H12" RELATED FORMULA [ChEBI] synonym: "CCC(C)C" RELATED SMILES [ChEBI] synonym: "dimethylethylmethane" RELATED [ChemIDplus] synonym: "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" RELATED InChI [ChEBI] synonym: "iso-C5H12" RELATED [NIST_Chemistry_WebBook] synonym: "iso-pentane" RELATED [NIST_Chemistry_WebBook] synonym: "isoamylhydride" RELATED [ChemIDplus] synonym: "isopentane" EXACT IUPAC_NAME [IUPAC] synonym: "QWTDNUCVQCZILF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "R-601a" RELATED [ChEBI] xref: Beilstein:1730723 "Beilstein" xref: CAS:78-78-4 "ChemIDplus" xref: Gmelin:49318 "Gmelin" xref: PMID:21481069 "Europe PMC" xref: PMID:23904008 "Europe PMC" xref: PMID:24833189 "Europe PMC" xref: PMID:24932627 "Europe PMC" xref: Reaxys:1730723 "Reaxys" xref: Wikipedia:Isopentane is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:78433 ! refrigerant [Term] id: CHEBI:30363 name: isobutane namespace: chebi_ontology def: "An alkane that is propane substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "(CH3)2CH-CH3" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-methylpropane" EXACT IUPAC_NAME [IUPAC] synonym: "58.078" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "58.12220" RELATED MASS [ChEBI] synonym: "C4H10" RELATED FORMULA [ChEBI] synonym: "CC(C)C" RELATED SMILES [ChEBI] synonym: "E943b" RELATED [ChEBI] synonym: "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" RELATED InChI [ChEBI] synonym: "isobutane" EXACT IUPAC_NAME [IUPAC] synonym: "NNPPMTNAJDCUHE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "R-600a" RELATED [ChEBI] xref: Beilstein:1730720 "Beilstein" xref: CAS:75-28-5 "NIST Chemistry WebBook" xref: Gmelin:1301 "Gmelin" xref: KEGG:D04623 xref: PMID:24179026 "Europe PMC" xref: PMID:24464945 "Europe PMC" xref: Reaxys:1730720 "Reaxys" xref: Wikipedia:Isobutane is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:78017 ! food propellant relationship: has_role CHEBI:78433 ! refrigerant [Term] id: CHEBI:30408 name: iron-sulfur cluster namespace: chebi_ontology alt_id: CHEBI:24878 alt_id: CHEBI:5976 def: "An iron-sulfur cluster is a unit comprising two or more iron atoms and bridging sulfur ligands." [] subset: 3_STAR synonym: "[nFe-xS]" RELATED [IUBMB] synonym: "Fe-S clusters" RELATED [IUBMB] synonym: "Iron-sulfur" RELATED [KEGG_COMPOUND] synonym: "Iron-sulfur cluster" EXACT [KEGG_COMPOUND] synonym: "iron-sulfur cluster" EXACT IUPAC_NAME [IUPAC] synonym: "iron-sulfur cluster" EXACT [UniProt] synonym: "iron-sulfur clusters" RELATED [ChEBI] xref: COMe:BIM000452 xref: KEGG:C00824 is_a: CHEBI:25214 ! metal-sulfur cluster is_a: CHEBI:33892 ! iron coordination entity [Term] id: CHEBI:30412 name: monoatomic dication namespace: chebi_ontology alt_id: CHEBI:23856 alt_id: CHEBI:4665 subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "0.00000" RELATED MASS [ChEBI] synonym: "[*++]" RELATED SMILES [ChEBI] synonym: "Divalent cation" RELATED [KEGG_COMPOUND] synonym: "divalent cation" RELATED [UniProt] synonym: "divalent inorganic cations" RELATED [ChEBI] synonym: "monoatomic dications" RELATED [ChEBI] xref: KEGG:C00572 is_a: CHEBI:23906 ! monoatomic cation [Term] id: CHEBI:30452 name: tellurium atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "127.60000" RELATED MASS [ChEBI] synonym: "129.906" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "52Te" RELATED [IUPAC] synonym: "[Te]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Te" RELATED InChI [ChEBI] synonym: "PORWMNRCUJJQNO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Te" RELATED FORMULA [ChEBI] synonym: "Te" RELATED [IUPAC] synonym: "Tellur" RELATED [ChEBI] synonym: "tellure" RELATED [ChEBI] synonym: "tellurium" EXACT IUPAC_NAME [IUPAC] synonym: "tellurium" RELATED [ChEBI] synonym: "teluro" RELATED [ChEBI] xref: CAS:13494-80-9 "ChemIDplus" xref: Gmelin:16309 "Gmelin" xref: WebElements:Te is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:33303 ! chalcogen [Term] id: CHEBI:30465 name: tellurous acid namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "177.61408" RELATED MASS [ChEBI] synonym: "179.907" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[H]O[Te](=O)O[H]" RELATED SMILES [ChEBI] synonym: "[TeO(OH)2]" RELATED [IUPAC] synonym: "dihydroxidooxidotellurium" EXACT IUPAC_NAME [IUPAC] synonym: "H2O3Te" RELATED FORMULA [ChEBI] synonym: "H2TeO3" RELATED [IUPAC] synonym: "InChI=1S/H2O3Te/c1-4(2)3/h(H2,1,2,3)" RELATED InChI [ChEBI] synonym: "SITVSCPRJNYAGV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "tellurige Saeure" RELATED [ChEBI] synonym: "tellurous acid" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:25627 "Gmelin" is_a: CHEBI:33519 ! tellurium oxoacid relationship: is_conjugate_acid_of CHEBI:33522 ! hydrogentellurite [Term] id: CHEBI:30477 name: tellurite namespace: chebi_ontology subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "175.59820" RELATED MASS [ChEBI] synonym: "177.891" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[O-][Te]([O-])=O" RELATED SMILES [ChEBI] synonym: "[TeO3](2-)" RELATED [ChEBI] synonym: "InChI=1S/H2O3Te/c1-4(2)3/h(H2,1,2,3)/p-2" RELATED InChI [ChEBI] synonym: "O3Te" RELATED FORMULA [ChEBI] synonym: "SITVSCPRJNYAGV-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "Tellurate (TeO3(2-))" RELATED [ChemIDplus] synonym: "tellurite" EXACT [UniProt] synonym: "TeO3(2-)" RELATED [IUPAC] synonym: "trioxidotellurate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxotellurate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxotellurate(IV)" EXACT IUPAC_NAME [IUPAC] xref: CAS:15852-22-9 "ChemIDplus" xref: colombos:TELLURITE xref: Gmelin:100741 "Gmelin" xref: Wikipedia:Tellurite_(ion) is_a: CHEBI:33520 ! tellurium oxoanion relationship: is_conjugate_base_of CHEBI:33522 ! hydrogentellurite [Term] id: CHEBI:30488 name: sulfonium namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "34.996" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "35.08982" RELATED MASS [ChEBI] synonym: "[H][S+]([H])[H]" RELATED SMILES [ChEBI] synonym: "[SH3](+)" RELATED [ChEBI] synonym: "H3S" RELATED FORMULA [ChEBI] synonym: "H3S(+)" RELATED [IUPAC] synonym: "H3S+" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/H2S/h1H2/p+1" RELATED InChI [ChEBI] synonym: "RWSOTUBLDIXVET-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "sulfanium" EXACT IUPAC_NAME [IUPAC] synonym: "sulfonium" EXACT IUPAC_NAME [IUPAC] synonym: "sulphonium" RELATED [ChEBI] synonym: "trihydridosulfur(1+)" EXACT IUPAC_NAME [IUPAC] xref: CAS:18155-21-0 "NIST Chemistry WebBook" xref: Gmelin:307 "Gmelin" is_a: CHEBI:26830 ! sulfonium compound is_a: CHEBI:33535 ! sulfur hydride is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:16136 ! hydrogen sulfide [Term] id: CHEBI:30512 name: silver atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "106.905" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "107.86820" RELATED MASS [ChEBI] synonym: "47Ag" RELATED [IUPAC] synonym: "[Ag]" RELATED SMILES [ChEBI] synonym: "Ag" RELATED [IUPAC] synonym: "Ag" RELATED FORMULA [ChEBI] synonym: "argent" RELATED [ChEBI] synonym: "argentum" RELATED [IUPAC] synonym: "BQCADISMDOOEFD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Ag" RELATED InChI [ChEBI] synonym: "plata" RELATED [ChEBI] synonym: "Silber" RELATED [ChemIDplus] synonym: "silver" EXACT IUPAC_NAME [IUPAC] synonym: "silver" RELATED [ChEBI] xref: CAS:7440-22-4 "ChemIDplus" xref: WebElements:Ag is_a: CHEBI:33366 ! copper group element atom [Term] id: CHEBI:30513 name: antimony atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "120.904" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "121.76000" RELATED MASS [ChEBI] synonym: "51Sb" RELATED [IUPAC] synonym: "[Sb]" RELATED SMILES [ChEBI] synonym: "antimoine" RELATED [ChEBI] synonym: "Antimon" RELATED [ChEBI] synonym: "antimonio" RELATED [ChEBI] synonym: "antimony" EXACT IUPAC_NAME [IUPAC] synonym: "antimony" RELATED [ChEBI] synonym: "InChI=1S/Sb" RELATED InChI [ChEBI] synonym: "Sb" RELATED [IUPAC] synonym: "Sb" RELATED FORMULA [ChEBI] synonym: "stibium" RELATED [IUPAC] synonym: "WATWJIUSRGPENY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: WebElements:Sb is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:33300 ! pnictogen [Term] id: CHEBI:30531 name: pimelic acid namespace: chebi_ontology alt_id: CHEBI:20709 alt_id: CHEBI:24517 alt_id: CHEBI:44980 def: "An alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,5-pentanedicarboxylic acid" RELATED [ChemIDplus] synonym: "160.074" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "160.16778" RELATED MASS [ChEBI] synonym: "6-carboxyhexanoic acid" RELATED [ChEBI] synonym: "C7H12O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "Heptanedioic acid" RELATED [KEGG_COMPOUND] synonym: "heptanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)" RELATED InChI [ChEBI] synonym: "OC(=O)CCCCCC(O)=O" RELATED SMILES [ChEBI] synonym: "Pimelate" RELATED [KEGG_COMPOUND] synonym: "PIMELIC ACID" EXACT [PDBeChem] synonym: "Pimelic acid" EXACT [KEGG_COMPOUND] synonym: "pimelic acid" EXACT [UniProt] synonym: "WLJVNTCWHIRURA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1210024 "Beilstein" xref: CAS:111-16-0 "KEGG COMPOUND" xref: DrugBank:DB01856 xref: Gmelin:261058 "Gmelin" xref: HMDB:HMDB00857 xref: KEGG:C02656 xref: KNApSAcK:C00001199 xref: LIPID_MAPS_instance:LMFA01170051 "LIPID MAPS" xref: MetaCyc:CPD-205 xref: PDBeChem:PML xref: PMID:20693992 "Europe PMC" xref: PMID:21437340 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:24486440 "Europe PMC" xref: Reaxys:1210024 "Reaxys" xref: Wikipedia:Pimelic_acid is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:17774 ! pimelate(1-) [Term] id: CHEBI:30612 name: D-glucarate(2-) namespace: chebi_ontology alt_id: CHEBI:12953 alt_id: CHEBI:20980 alt_id: CHEBI:42731 def: "Dicarboxylate anion of D-glucaric acid; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "208.022" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "208.12292" RELATED MASS [ChEBI] synonym: "C6H8O8" RELATED FORMULA [ChEBI] synonym: "D-GLUCARATE" RELATED [PDBeChem] synonym: "D-glucarate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glucarate" RELATED [UniProt] synonym: "DSLZVSRJTYRBFB-LLEIAEIESA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2-,3-,4+/m0/s1" RELATED InChI [ChEBI] synonym: "O[C@@H]([C@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:3909239 "Beilstein" xref: Gmelin:407929 "Gmelin" xref: KEGG:C00818 "ChEBI" xref: PDBeChem:GKR is_a: CHEBI:30613 ! glucarate(2-) relationship: is_conjugate_base_of CHEBI:33801 ! D-glucarate(1-) [Term] id: CHEBI:30613 name: glucarate(2-) namespace: chebi_ontology alt_id: CHEBI:14311 alt_id: CHEBI:24256 def: "A glucaric acid anion that is the dianion obtained by the deprotonation of both the carboxy groups of glucaric acid." [] subset: 3_STAR synonym: "glucarate" EXACT IUPAC_NAME [IUPAC] synonym: "glucarate" RELATED [UniProt] is_a: CHEBI:48914 ! glucaric acid anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:35392 ! glucarate(1-) [Term] id: CHEBI:30616 name: ATP(4-) namespace: chebi_ontology def: "A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of ATP; major species present at pH 7.3." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "502.964" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "503.14946" RELATED MASS [ChEBI] synonym: "adenosine 5'-triphosphate(4-)" EXACT IUPAC_NAME [IUPAC] synonym: "ATP" RELATED [UniProt] synonym: "atp" RELATED [IUPAC] synonym: "C10H12N5O13P3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "ZKHQWZAMYRWXGA-KQYNXXCUSA-J" RELATED InChIKey [ChEBI] xref: Beilstein:3581767 "Beilstein" xref: Gmelin:342798 "Gmelin" is_a: CHEBI:61557 ! nucleoside triphosphate(4-) relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:57299 ! ATP(3-) [Term] id: CHEBI:30655 name: L-homoserine lactone namespace: chebi_ontology def: "The L-enantiomer of homoserine lactone." [] subset: 3_STAR synonym: "(3R)-3-amino-4,5-dihydrofuran-2(3H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "101.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "101.10390" RELATED MASS [ChEBI] synonym: "C4H7NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-homoserine lactone" EXACT IUPAC_NAME [IUPAC] synonym: "N[C@H]1CCOC1=O" RELATED SMILES [ChEBI] synonym: "QJPWUUJVYOJNMH-VKHMYHEASA-N" RELATED InChIKey [ChEBI] xref: Beilstein:80586 "Beilstein" is_a: CHEBI:17289 ! homoserine lactone relationship: is_conjugate_base_of CHEBI:58633 ! L-homoserine lactone(1+) relationship: is_enantiomer_of CHEBI:30657 ! D-homoserine lactone [Term] id: CHEBI:30657 name: D-homoserine lactone namespace: chebi_ontology def: "The D-enantiomer of homoserine lactone." [] subset: 3_STAR synonym: "(3S)-3-amino-4,5-dihydrofuran-2(3H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "101.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "101.10390" RELATED MASS [ChEBI] synonym: "C4H7NO2" RELATED FORMULA [ChEBI] synonym: "D-homoserine lactone" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@@H]1CCOC1=O" RELATED SMILES [ChEBI] synonym: "QJPWUUJVYOJNMH-GSVOUGTGSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:80585 "Beilstein" is_a: CHEBI:17289 ! homoserine lactone relationship: is_enantiomer_of CHEBI:30655 ! L-homoserine lactone [Term] id: CHEBI:30740 name: ethylene glycol bis(2-aminoethyl)tetraacetic acid namespace: chebi_ontology def: "A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,2',2'',2'''-[ethane-1,2-diylbis(oxyethane-2,1-diylnitrilo)]tetraacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3,12-bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic acid" RELATED [ChemIDplus] synonym: "380.143" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "380.34784" RELATED MASS [ChEBI] synonym: "[ethylenebis(oxyethylenenitrilo)]tetraacetic acid" RELATED [ChEBI] synonym: "C14H24N2O10" RELATED FORMULA [ChEBI] synonym: "DEFVIWRASFVYLL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "EGTA" RELATED [ChemIDplus] synonym: "Egtazic acid" RELATED [ChemIDplus] synonym: "ethylene glycol bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid" RELATED [ChEBI] synonym: "ethylene glycol-O,O'-bis(2-aminoethyl)-N,N,N',N'-tetraacetic acid" RELATED [ChEBI] synonym: "H4egta" RELATED [IUPAC] synonym: "InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)" RELATED InChI [ChEBI] synonym: "OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1717370 "Beilstein" xref: CAS:67-42-5 "ChemIDplus" xref: Gmelin:234970 "Gmelin" xref: PMID:11034152 "Europe PMC" xref: PMID:18804143 "Europe PMC" xref: Reaxys:1717370 "Reaxys" xref: Wikipedia:EGTA_(chemical) is_a: CHEBI:35742 ! tetracarboxylic acid is_a: CHEBI:46786 ! diether is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:38161 ! chelator [Term] id: CHEBI:30745 name: phenylacetic acid namespace: chebi_ontology alt_id: CHEBI:25977 alt_id: CHEBI:44686 alt_id: CHEBI:8085 def: "A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "136.052" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "136.14792" RELATED MASS [ChEBI] synonym: "2-PHENYLACETIC ACID" RELATED [PDBeChem] synonym: "2-Phenylethanoic acid" RELATED [HMDB] synonym: "alpha-toluic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Benzeneacetic acid" RELATED [KEGG_COMPOUND] synonym: "benzeneacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Benzylformic acid" RELATED [KEGG_COMPOUND] synonym: "C8H8O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)" RELATED InChI [ChEBI] synonym: "OC(=O)Cc1ccccc1" RELATED SMILES [ChEBI] synonym: "Omega-Phenylacetic acid" RELATED [HMDB] synonym: "omega-phenylacetic acid" RELATED [HMDB] synonym: "PA" RELATED [ChEBI] synonym: "Phenylacetic acid" EXACT [KEGG_COMPOUND] synonym: "phenylacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "WLJVXDMOQOGPHL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1099647 "Beilstein" xref: CAS:103-82-2 "ChemIDplus" xref: Drug_Central:4624 "DrugCentral" xref: ECMDB:ECMDB04128 xref: Gmelin:68976 "Gmelin" xref: HMDB:HMDB00209 xref: KEGG:C07086 xref: KNApSAcK:C00000750 xref: MetaCyc:PHENYLACETATE xref: PDBeChem:PAC xref: PMID:12147706 "Europe PMC" xref: PMID:12569987 "Europe PMC" xref: PMID:15057459 "Europe PMC" xref: PMID:15506622 "Europe PMC" xref: PMID:15646820 "Europe PMC" xref: PMID:17622769 "Europe PMC" xref: PMID:2083978 "Europe PMC" xref: PMID:24587751 "Europe PMC" xref: PMID:24631718 "Europe PMC" xref: PMID:7544181 "Europe PMC" xref: PMID:7716788 "Europe PMC" xref: Reaxys:1099647 "Reaxys" xref: Wikipedia:Phenylacetic_acid xref: YMDB:YMDB00891 is_a: CHEBI:22712 ! benzenes is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: has_role CHEBI:22676 ! auxin relationship: has_role CHEBI:27026 ! toxin relationship: has_role CHEBI:35219 ! plant growth retardant relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76956 ! Aspergillus metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:90318 ! EC 6.4.1.1 (pyruvate carboxylase) inhibitor relationship: is_conjugate_acid_of CHEBI:18401 ! phenylacetate [Term] id: CHEBI:30746 name: benzoic acid namespace: chebi_ontology alt_id: CHEBI:22722 alt_id: CHEBI:3029 alt_id: CHEBI:41051 def: "A compound comprising a benzene ring core carrying a carboxylic acid substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "122.037" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "122.12130" RELATED MASS [ChEBI] synonym: "acide benzoique" RELATED [ChEBI] synonym: "Aromatic carboxylic acid" RELATED [KEGG_COMPOUND] synonym: "Benzenecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "Benzeneformic acid" RELATED [HMDB] synonym: "Benzenemethanoic acid" RELATED [HMDB] synonym: "Benzoesaeure" RELATED [ChEBI] synonym: "BENZOIC ACID" EXACT [PDBeChem] synonym: "Benzoic acid" EXACT [KEGG_COMPOUND] synonym: "benzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C7H6O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Dracylic acid" RELATED [KEGG_COMPOUND] synonym: "E210" RELATED [ChEBI] synonym: "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" RELATED InChI [ChEBI] synonym: "OC(=O)c1ccccc1" RELATED SMILES [ChEBI] synonym: "Phenylcarboxylic acid" RELATED [HMDB] synonym: "Phenylformic acid" RELATED [KEGG_COMPOUND] synonym: "WPYMKLBDIGXBTP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:636131 "Beilstein" xref: CAS:65-85-0 "ChemIDplus" xref: Drug_Central:4664 "DrugCentral" xref: DrugBank:DB03793 xref: Gmelin:2946 "Gmelin" xref: HMDB:HMDB01870 xref: KEGG:C00180 xref: KEGG:C00539 xref: KEGG:D00038 xref: KNApSAcK:C00000207 xref: LINCS:LSM-37118 xref: MetaCyc:BENZOATE xref: PDBeChem:BEZ xref: PMID:16728954 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:18314336 "Europe PMC" xref: Reaxys:636131 "Reaxys" xref: Wikipedia:Benzoic_Acid xref: YMDB:YMDB02301 is_a: CHEBI:22723 ! benzoic acids relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor relationship: has_role CHEBI:65001 ! EC 3.1.1.3 (triacylglycerol lipase) inhibitor relationship: has_role CHEBI:65256 ! antimicrobial food preservative relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_acid_of CHEBI:16150 ! benzoate [Term] id: CHEBI:30751 name: formic acid namespace: chebi_ontology alt_id: CHEBI:24082 alt_id: CHEBI:42460 alt_id: CHEBI:5145 def: "The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "46.005" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "46.02538" RELATED MASS [ChEBI] synonym: "[H]C(O)=O" RELATED SMILES [ChEBI] synonym: "Acide formique" RELATED [ChemIDplus] synonym: "Ameisensaeure" RELATED [ChemIDplus] synonym: "aminic acid" RELATED [ChemIDplus] synonym: "BDAGIHXWWSANSR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "bilorin" RELATED [ChemIDplus] synonym: "CH2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "FORMIC ACID" EXACT [PDBeChem] synonym: "Formic acid" EXACT [KEGG_COMPOUND] synonym: "formic acid" EXACT IUPAC_NAME [IUPAC] synonym: "formylic acid" RELATED [ChemIDplus] synonym: "H-COOH" RELATED [IUPAC] synonym: "HCO2H" RELATED [ChEBI] synonym: "HCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen carboxylic acid" RELATED [ChemIDplus] synonym: "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" RELATED InChI [ChEBI] synonym: "Methanoic acid" RELATED [KEGG_COMPOUND] synonym: "methoic acid" RELATED [ChEBI] xref: Beilstein:1209246 "Beilstein" xref: CAS:64-18-6 "NIST Chemistry WebBook" xref: DrugBank:DB01942 xref: Gmelin:1008 "Gmelin" xref: HMDB:HMDB00142 xref: KEGG:C00058 xref: KNApSAcK:C00001182 xref: LIPID_MAPS_instance:LMFA01010040 "LIPID MAPS" xref: MetaCyc:FORMATE xref: Patent:CN101481304 xref: PDBeChem:FMT xref: PMID:12591956 "Europe PMC" xref: PMID:14637377 "Europe PMC" xref: PMID:15811469 "Europe PMC" xref: PMID:16120414 "Europe PMC" xref: PMID:16185830 "Europe PMC" xref: PMID:16222862 "Europe PMC" xref: PMID:16230297 "Europe PMC" xref: PMID:16445901 "Europe PMC" xref: PMID:16465784 "Europe PMC" xref: PMID:18034701 "Europe PMC" xref: PMID:18397576 "Europe PMC" xref: PMID:22080171 "Europe PMC" xref: PMID:22280475 "Europe PMC" xref: PMID:22304812 "Europe PMC" xref: PMID:22385261 "Europe PMC" xref: PMID:22447125 "Europe PMC" xref: PMID:22483350 "Europe PMC" xref: PMID:22499553 "Europe PMC" xref: PMID:22540994 "Europe PMC" xref: PMID:22606986 "Europe PMC" xref: PMID:22622393 "Europe PMC" xref: PMID:3946945 "Europe PMC" xref: PMID:7361809 "Europe PMC" xref: Reaxys:1209246 "Reaxys" xref: Wikipedia:Formic_acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:48356 ! protic solvent relationship: has_role CHEBI:74783 ! astringent relationship: is_conjugate_acid_of CHEBI:15740 ! formate [Term] id: CHEBI:30753 name: 4-aminobenzoic acid namespace: chebi_ontology alt_id: CHEBI:113372 alt_id: CHEBI:1783 alt_id: CHEBI:20315 alt_id: CHEBI:44778 def: "An aminobenzoic acid in which the amino group is para to the carboxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-Amino-4-carboxybenzene" RELATED [HMDB] synonym: "137.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "137.13600" RELATED MASS [ChEBI] synonym: "4-Amino-benzoic acid" RELATED [ChEMBL] synonym: "4-Aminobenzoesaeure" RELATED [ChEBI] synonym: "4-AMINOBENZOIC ACID" EXACT [PDBeChem] synonym: "4-Aminobenzoic acid" EXACT [KEGG_COMPOUND] synonym: "4-aminobenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-Carboxyaniline" RELATED [HMDB] synonym: "4-Carboxyphenylamine" RELATED [HMDB] synonym: "ABEE" RELATED [KEGG_COMPOUND] synonym: "ALYNCZNDIQEVRV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C7H7NO2" RELATED FORMULA [ChEBI] synonym: "gamma-Aminobenzoic acid" RELATED [HMDB] synonym: "gamma-aminobenzoic acid" RELATED [HMDB] synonym: "InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)" RELATED InChI [ChEBI] synonym: "Nc1ccc(cc1)C(O)=O" RELATED SMILES [ChEBI] synonym: "p-Aminobenzoesaeure" RELATED [ChEBI] synonym: "p-aminobenzoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "p-carboxyaniline" RELATED [HMDB] synonym: "p-carboxyphenylamine" RELATED [HMDB] synonym: "PABA" RELATED [NIST_Chemistry_WebBook] synonym: "para-aminobenzoic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:471605 "Beilstein" xref: CAS:150-13-0 "KEGG COMPOUND" xref: Drug_Central:2049 "DrugCentral" xref: DrugBank:DB02362 xref: ECMDB:ECMDB01392 xref: Gmelin:50150 "Gmelin" xref: HMDB:HMDB01392 xref: KEGG:C00568 xref: KEGG:D02456 xref: KNApSAcK:C00001401 xref: PDBeChem:PAB xref: PMID:12039592 "ChEMBL" xref: PMID:14745019 "Europe PMC" xref: PMID:15115392 "ChEMBL" xref: PMID:1527790 "ChEMBL" xref: PMID:16290145 "ChEMBL" xref: PMID:17149871 "ChEMBL" xref: PMID:17743450 "Europe PMC" xref: PMID:17800214 "Europe PMC" xref: PMID:19469519 "Europe PMC" xref: PMID:22767283 "Europe PMC" xref: PMID:22994574 "Europe PMC" xref: PMID:23063996 "Europe PMC" xref: PMID:23084339 "Europe PMC" xref: PMID:23144588 "Europe PMC" xref: PMID:23471007 "Europe PMC" xref: PMID:3599019 "ChEMBL" xref: PMID:3820215 "ChEMBL" xref: PMID:3950915 "ChEMBL" xref: PMID:8411009 "ChEMBL" xref: PMID:9406595 "ChEMBL" xref: Reaxys:471605 "Reaxys" xref: Wikipedia:4-Aminobenzoic_Acid xref: YMDB:YMDB00493 is_a: CHEBI:22495 ! aminobenzoic acid relationship: has_functional_parent CHEBI:30746 ! benzoic acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:17836 ! 4-aminobenzoate [Term] id: CHEBI:30754 name: anthranilic acid namespace: chebi_ontology alt_id: CHEBI:22577 alt_id: CHEBI:22578 alt_id: CHEBI:2757 alt_id: CHEBI:40980 def: "An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "137.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "137.13600" RELATED MASS [ChEBI] synonym: "2-Aminobenzoesaeure" RELATED [ChEBI] synonym: "2-AMINOBENZOIC ACID" RELATED [PDBeChem] synonym: "2-aminobenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-carboxyaniline" RELATED [NIST_Chemistry_WebBook] synonym: "Anthranilic acid" EXACT [KEGG_COMPOUND] synonym: "C7H7NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)" RELATED InChI [ChEBI] synonym: "Nc1ccccc1C(O)=O" RELATED SMILES [ChEBI] synonym: "o-Aminobenzoesaeure" RELATED [ChEBI] synonym: "o-Aminobenzoic acid" RELATED [KEGG_COMPOUND] synonym: "o-aminobenzoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "o-carboxyaniline" RELATED [NIST_Chemistry_WebBook] synonym: "RWZYAGGXGHYGMB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Vitamin L1" RELATED [KEGG_COMPOUND] xref: Beilstein:471803 "Beilstein" xref: CAS:118-92-3 "KEGG COMPOUND" xref: DrugBank:DB04166 xref: Gmelin:3397 "Gmelin" xref: HMDB:HMDB01123 xref: KEGG:C00108 xref: KNApSAcK:C00007382 xref: MetaCyc:ANTHRANILATE xref: PDBeChem:BE2 xref: PMID:11680877 "Europe PMC" xref: PMID:19745702 "Europe PMC" xref: PMID:20511543 "Europe PMC" xref: PMID:22321994 "Europe PMC" xref: PMID:22341575 "Europe PMC" xref: PMID:22784643 "Europe PMC" xref: PMID:28166217 "Europe PMC" xref: PMID:9784247 "Europe PMC" xref: Reaxys:471803 "Reaxys" xref: Wikipedia:Anthranilic_acid is_a: CHEBI:22495 ! aminobenzoic acid relationship: has_role CHEBI:27314 ! water-soluble vitamin relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16567 ! anthranilate [Term] id: CHEBI:30762 name: salicylate namespace: chebi_ontology alt_id: CHEBI:15061 alt_id: CHEBI:26595 def: "A monohydroxybenzoate that is the conjugate base of salicylic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "137.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "137.11280" RELATED MASS [ChEBI] synonym: "2-hydroxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-hydroxybenzoic acid ion(1-)" RELATED [ChemIDplus] synonym: "C7H5O3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "o-hydroxybenzoate" RELATED [ChemIDplus] synonym: "Oc1ccccc1C([O-])=O" RELATED SMILES [ChEBI] synonym: "sal" RELATED [IUPAC] synonym: "Salicylate" EXACT [KEGG_COMPOUND] synonym: "salicylate" EXACT [UniProt] synonym: "YGSDEFSMJLZEOE-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3605209 "Beilstein" xref: CAS:63-36-5 "ChemIDplus" xref: Gmelin:3417 "Gmelin" xref: KEGG:C00805 xref: PMID:16669002 "Europe PMC" xref: PMID:16934829 "Europe PMC" xref: Reaxys:3605209 "Reaxys" xref: UM-BBD_compID:c0043 "ChEBI" is_a: CHEBI:25388 ! monohydroxybenzoate relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:16914 ! salicylic acid [Term] id: CHEBI:30763 name: 4-hydroxybenzoic acid namespace: chebi_ontology alt_id: CHEBI:1858 alt_id: CHEBI:20398 alt_id: CHEBI:44949 def: "A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "138.032" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "138.12074" RELATED MASS [ChEBI] synonym: "4-carboxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "4-Hydroxybenzoic acid" EXACT [KEGG_COMPOUND] synonym: "4-hydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C7H6O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "FJKROLUGYXJWQN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)" RELATED InChI [ChEBI] synonym: "OC(=O)c1ccc(O)cc1" RELATED SMILES [ChEBI] synonym: "P-HYDROXYBENZOIC ACID" RELATED [PDBeChem] synonym: "p-hydroxybenzoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "p-salicylic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:970950 "Beilstein" xref: CAS:99-96-7 "KEGG COMPOUND" xref: DrugBank:DB04242 xref: ECMDB:ECMDB00500 xref: Gmelin:3102 "Gmelin" xref: HMDB:HMDB00500 xref: KEGG:C00156 xref: KNApSAcK:C00000856 xref: PDBeChem:PHB xref: PMID:17185273 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:24128482 "Europe PMC" xref: PMID:24236566 "Europe PMC" xref: Reaxys:970950 "Reaxys" xref: Wikipedia:4-Hydroxybenzoic_acid xref: YMDB:YMDB00495 is_a: CHEBI:25389 ! monohydroxybenzoic acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:17879 ! 4-hydroxybenzoate [Term] id: CHEBI:30768 name: propionic acid namespace: chebi_ontology alt_id: CHEBI:26304 alt_id: CHEBI:45227 alt_id: CHEBI:8476 def: "A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.037" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "74.07850" RELATED MASS [ChEBI] synonym: "acide propanoique" RELATED [ChEBI] synonym: "acide propionique" RELATED [NIST_Chemistry_WebBook] synonym: "C3H6O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "carboxyethane" RELATED [ChemIDplus] synonym: "CCC(O)=O" RELATED SMILES [ChEBI] synonym: "CH3-CH2-COOH" RELATED [IUPAC] synonym: "ethanecarboxylic acid" RELATED [ChemIDplus] synonym: "ethylformic acid" RELATED [ChemIDplus] synonym: "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" RELATED InChI [ChEBI] synonym: "metacetonic acid" RELATED [ChemIDplus] synonym: "methylacetic acid" RELATED [ChemIDplus] synonym: "PA" RELATED [ChEBI] synonym: "PROPANOIC ACID" RELATED [PDBeChem] synonym: "Propanoic acid" RELATED [KEGG_COMPOUND] synonym: "propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "propioic acid" RELATED [LIPID_MAPS] synonym: "Propionic acid" EXACT [KEGG_COMPOUND] synonym: "propionic acid" EXACT [IUPAC] synonym: "Propionsaeure" RELATED [ChEBI] synonym: "propoic acid" RELATED [ChEBI] synonym: "pseudoacetic acid" RELATED [ChemIDplus] synonym: "XBDQKXXYIPTUBI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:506071 "Beilstein" xref: CAS:79-09-4 "NIST Chemistry WebBook" xref: DrugBank:DB03766 xref: Gmelin:1821 "Gmelin" xref: KEGG:C00163 xref: KEGG:D02310 xref: LIPID_MAPS_instance:LMFA01010003 "LIPID MAPS" xref: PDBeChem:PPI xref: PMID:15868474 "Europe PMC" xref: PMID:1628870 "Europe PMC" xref: PMID:16763906 "Europe PMC" is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:26666 ! short-chain fatty acid relationship: has_role CHEBI:86327 ! antifungal drug relationship: is_conjugate_acid_of CHEBI:17272 ! propionate [Term] id: CHEBI:30769 name: citric acid namespace: chebi_ontology alt_id: CHEBI:23322 alt_id: CHEBI:3727 alt_id: CHEBI:41523 def: "A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "192.027" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "192.12350" RELATED MASS [ChEBI] synonym: "2-Hydroxy-1,2,3-propanetricarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "2-hydroxypropane-1,2,3-tricarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Hydroxytricarballylic acid" RELATED [KEGG_COMPOUND] synonym: "3-Carboxy-3-hydroxypentane-1,5-dioic acid" RELATED [HMDB] synonym: "C6H8O7" RELATED FORMULA [ChEBI] synonym: "CITRIC ACID" EXACT [PDBeChem] synonym: "Citric acid" EXACT [KEGG_COMPOUND] synonym: "citric acid" EXACT [UniProt] synonym: "Citronensaeure" RELATED [ChEBI] synonym: "E330" RELATED [ChEBI] synonym: "H3cit" RELATED [IUPAC] synonym: "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" RELATED InChI [ChEBI] synonym: "KRKNYBCHXYNGOX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "OC(=O)CC(O)(CC(O)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:782061 "Beilstein" xref: CAS:77-92-9 "ChemIDplus" xref: Drug_Central:666 "DrugCentral" xref: DrugBank:DB04272 xref: Gmelin:4240 "Gmelin" xref: HMDB:HMDB00094 xref: KEGG:C00158 xref: KEGG:D00037 xref: KNApSAcK:C00007619 xref: MetaCyc:CIT xref: PDBeChem:CIT xref: PMID:11762832 "Europe PMC" xref: PMID:11782123 "Europe PMC" xref: PMID:11857437 "Europe PMC" xref: PMID:14537820 "Europe PMC" xref: PMID:15311880 "Europe PMC" xref: PMID:15934243 "Europe PMC" xref: PMID:16232627 "Europe PMC" xref: PMID:17190852 "Europe PMC" xref: PMID:17357118 "Europe PMC" xref: PMID:17604395 "Europe PMC" xref: PMID:18298573 "Europe PMC" xref: PMID:18960216 "Europe PMC" xref: PMID:19288211 "Europe PMC" xref: PMID:22115968 "Europe PMC" xref: PMID:22192423 "Europe PMC" xref: PMID:22264346 "Europe PMC" xref: PMID:22373571 "Europe PMC" xref: PMID:22509852 "Europe PMC" xref: Reaxys:782061 "Reaxys" xref: Wikipedia:Citric_Acid is_a: CHEBI:27093 ! tricarboxylic acid relationship: has_role CHEBI:33281 ! antimicrobial agent relationship: has_role CHEBI:38161 ! chelator relationship: has_role CHEBI:64049 ! food acidity regulator relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:35804 ! citrate(1-) [Term] id: CHEBI:30772 name: butyric acid namespace: chebi_ontology alt_id: CHEBI:113450 alt_id: CHEBI:22948 alt_id: CHEBI:3234 alt_id: CHEBI:41208 def: "A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-butanoic acid" RELATED [HMDB] synonym: "1-butyric acid" RELATED [HMDB] synonym: "1-propanecarboxylic acid" RELATED [MetaCyc] synonym: "4:0" RELATED [ChEBI] synonym: "88.052" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "88.10510" RELATED MASS [ChEBI] synonym: "acide butanoique" RELATED [IUPAC] synonym: "acide butyrique" RELATED [ChEBI] synonym: "butanic acid" RELATED [ChEBI] synonym: "Butanoate" RELATED [KEGG_COMPOUND] synonym: "BUTANOIC ACID" RELATED [PDBeChem] synonym: "Butanoic acid" RELATED [KEGG_COMPOUND] synonym: "butanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "butanoic acid" RELATED [UniProt] synonym: "butoic acid" RELATED [ChEBI] synonym: "Buttersaeure" RELATED [ChEBI] synonym: "Butyric acid" EXACT [KEGG_COMPOUND] synonym: "butyric acid" EXACT [IUPAC] synonym: "C4:0" RELATED [ChEBI] synonym: "C4H8O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CCCC(O)=O" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]2-COOH" RELATED [IUPAC] synonym: "ethylacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "FERIUCNNQQJTOY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" RELATED InChI [ChEBI] synonym: "n-butanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-butyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "propanecarboxylic acid" RELATED [HMDB] synonym: "propylformic acid" RELATED [MetaCyc] xref: Beilstein:906770 "Beilstein" xref: CAS:107-92-6 "KEGG COMPOUND" xref: DrugBank:DB03568 xref: Gmelin:26242 "Gmelin" xref: HMDB:HMDB00039 xref: KEGG:C00246 xref: KNApSAcK:C00001180 xref: LIPID_MAPS_instance:LMFA01010004 "LIPID MAPS" xref: MetaCyc:BUTYRIC_ACID xref: PDBeChem:BUA xref: PMID:10736622 "Europe PMC" xref: PMID:10956204 "ChEMBL" xref: PMID:11201044 "Europe PMC" xref: PMID:11208715 "Europe PMC" xref: PMID:11238216 "Europe PMC" xref: PMID:11305323 "Europe PMC" xref: PMID:12068484 "Europe PMC" xref: PMID:13678314 "Europe PMC" xref: PMID:14962641 "Europe PMC" xref: PMID:1542095 "ChEMBL" xref: PMID:15809727 "Europe PMC" xref: PMID:15810631 "Europe PMC" xref: PMID:15938880 "Europe PMC" xref: PMID:19318247 "Europe PMC" xref: PMID:19366864 "Europe PMC" xref: PMID:19703412 "Europe PMC" xref: PMID:21699495 "Europe PMC" xref: PMID:22038864 "Europe PMC" xref: PMID:22194341 "Europe PMC" xref: PMID:22322557 "Europe PMC" xref: PMID:22339023 "Europe PMC" xref: PMID:22466881 "Europe PMC" xref: Reaxys:906770 "Reaxys" xref: Wikipedia:Butyric_acid is_a: CHEBI:26666 ! short-chain fatty acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite relationship: is_conjugate_acid_of CHEBI:17968 ! butyrate [Term] id: CHEBI:30776 name: hexanoic acid namespace: chebi_ontology alt_id: CHEBI:24571 alt_id: CHEBI:40213 alt_id: CHEBI:5702 def: "A C6, straight-chain saturated fatty acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-hexanoic acid" RELATED [ChemIDplus] synonym: "1-pentanecarboxylic acid" RELATED [ChemIDplus] synonym: "116.084" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "116.15830" RELATED MASS [ChEBI] synonym: "6:0" RELATED [ChEBI] synonym: "butylacetic acid" RELATED [ChemIDplus] synonym: "C6:0" RELATED [ChEBI] synonym: "C6H12O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "caproic acid" RELATED [ChEBI] synonym: "capronic acid" RELATED [NIST_Chemistry_WebBook] synonym: "CCCCCC(O)=O" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]4-COOH" RELATED [IUPAC] synonym: "FUZZWVXGSFPDMH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Hexanoate" RELATED [KEGG_COMPOUND] synonym: "HEXANOIC ACID" EXACT [PDBeChem] synonym: "Hexanoic acid" EXACT [KEGG_COMPOUND] synonym: "hexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hexoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Hexylic acid" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" RELATED InChI [ChEBI] synonym: "n-Caproic acid" RELATED [KEGG_COMPOUND] synonym: "n-hexanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-hexoic acid" RELATED [ChemIDplus] synonym: "n-hexylic acid" RELATED [ChemIDplus] synonym: "Pentanecarboxylic acid" RELATED [ChemIDplus] synonym: "pentiformic acid" RELATED [ChemIDplus] synonym: "pentylformic acid" RELATED [ChemIDplus] xref: Beilstein:773837 "Beilstein" xref: CAS:142-62-1 "ChemIDplus" xref: ECMDB:ECMDB21229 xref: Gmelin:185066 "Gmelin" xref: HMDB:HMDB00535 xref: KEGG:C01585 xref: KNApSAcK:C00001218 xref: LIPID_MAPS_instance:LMFA01010006 "LIPID MAPS" xref: MetaCyc:HEXANOATE xref: PDBeChem:6NA xref: PMID:10685018 "Europe PMC" xref: PMID:1556177 "Europe PMC" xref: PMID:24357269 "Europe PMC" xref: PMID:24924750 "Europe PMC" xref: Reaxys:773837 "Reaxys" xref: Wikipedia:Hexanoic_acid xref: YMDB:YMDB01424 is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:17120 ! hexanoate [Term] id: CHEBI:30779 name: succinate(1-) namespace: chebi_ontology def: "A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxy groups of succinic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "117.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "117.08010" RELATED MASS [ChEBI] synonym: "3-carboxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "Butanedioic acid, conjugate base" RELATED [NIST_Chemistry_WebBook] synonym: "C4H5O4" RELATED FORMULA [ChEBI] synonym: "HOOC-CH2-CH2-COO(-)" RELATED [ChEBI] synonym: "hydrogen succinate" RELATED [ChEBI] synonym: "InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-1" RELATED InChI [ChEBI] synonym: "KDYFGRWQOYBRFD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "OC(=O)CCC([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:3904279 "Beilstein" xref: Gmelin:325292 "Gmelin" xref: Reaxys:3904279 "Reaxys" is_a: CHEBI:26806 ! succinate is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:30031 ! succinate(2-) relationship: is_conjugate_base_of CHEBI:15741 ! succinic acid [Term] id: CHEBI:30780 name: maleate(2-) namespace: chebi_ontology alt_id: CHEBI:14559 alt_id: CHEBI:25118 def: "A C4-dicarboxylate that is the Z-isomer of but-2-enedioate(2-)" [] subset: 3_STAR synonym: "(2Z)-but-2-enedioate" EXACT IUPAC_NAME [IUPAC] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "113.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "114.05628" RELATED MASS [ChEBI] synonym: "[O-]C(=O)\\C=C/C([O-])=O" RELATED SMILES [ChEBI] synonym: "C4H2O4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1-" RELATED InChI [ChEBI] synonym: "male" RELATED [IUPAC] synonym: "maleate" RELATED [UniProt] synonym: "VZCYOOQTPOCHFL-UPHRSURJSA-L" RELATED InChIKey [ChEBI] xref: Beilstein:3588415 "Beilstein" xref: Gmelin:49853 "Gmelin" xref: Reaxys:3588415 "Reaxys" is_a: CHEBI:132951 ! maleate is_a: CHEBI:36180 ! butenedioate relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:37156 ! maleate(1-) [Term] id: CHEBI:30796 name: (R)-malic acid namespace: chebi_ontology alt_id: CHEBI:18686 alt_id: CHEBI:342 alt_id: CHEBI:42060 alt_id: CHEBI:44073 def: "An optically active form of malic acid having (R)-configuration." [] subset: 3_STAR synonym: "(+)-D-malic acid" RELATED [ChEBI] synonym: "(2R)-2-hydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-2-hydroxybutanedioic acid" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "134.022" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "134.08740" RELATED MASS [ChEBI] synonym: "2-HYDROXY-SUCCINIC ACID" RELATED [PDBeChem] synonym: "BJEPYKJPYRNKOW-UWTATZPHSA-N" RELATED InChIKey [ChEBI] synonym: "C4H6O5" RELATED FORMULA [ChEBI] synonym: "D-Malic acid" RELATED [KEGG_COMPOUND] synonym: "D-malic acid" RELATED [ChEBI] synonym: "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "O[C@H](CC(O)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1723540 "Beilstein" xref: CAS:636-61-3 "KEGG COMPOUND" xref: HMDB:HMDB00744 xref: KEGG:C00497 xref: MetaCyc:CPD-660 xref: PDBeChem:DMR xref: PDBeChem:MLT xref: PMID:13842473 "Europe PMC" xref: PMID:22735334 "Europe PMC" xref: PMID:8620111 "Europe PMC" xref: Reaxys:1723540 "Reaxys" xref: Wikipedia:Malic_acid is_a: CHEBI:6650 ! malic acid relationship: is_conjugate_acid_of CHEBI:15588 ! (R)-malate(2-) relationship: is_enantiomer_of CHEBI:30797 ! (S)-malic acid [Term] id: CHEBI:30797 name: (S)-malic acid namespace: chebi_ontology alt_id: CHEBI:18785 alt_id: CHEBI:423 def: "An optically active form of malic acid having (S)-configuration." [] subset: 3_STAR synonym: "(-)-L-malic acid" RELATED [ChEBI] synonym: "(2S)-2-hydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(-)-Hydroxysuccinic acid" RELATED [HMDB] synonym: "0" RELATED CHARGE [ChEBI] synonym: "134.022" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "134.08744" RELATED MASS [ChEBI] synonym: "BJEPYKJPYRNKOW-REOHCLBHSA-N" RELATED InChIKey [ChEBI] synonym: "C4H6O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-2-Hydroxybutanedioic acid" RELATED [KEGG_COMPOUND] synonym: "L-Apple acid" RELATED [KEGG_COMPOUND] synonym: "L-Malic acid" RELATED [KEGG_COMPOUND] synonym: "L-malic acid" RELATED [ChEBI] synonym: "Malate" RELATED [KEGG_COMPOUND] synonym: "Malic acid" RELATED [KEGG_COMPOUND] synonym: "O[C@@H](CC(O)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "S-2-Hydroxybutanedioic acid" RELATED [HMDB] xref: Beilstein:1723541 "Beilstein" xref: CAS:97-67-6 "NIST Chemistry WebBook" xref: HMDB:HMDB00156 xref: KEGG:C00149 xref: KNApSAcK:C00001192 xref: MetaCyc:MAL xref: PDBeChem:LMR xref: PMID:22452826 "Europe PMC" xref: Reaxys:1723541 "Reaxys" is_a: CHEBI:6650 ! malic acid relationship: is_conjugate_acid_of CHEBI:15589 ! (S)-malate(2-) relationship: is_enantiomer_of CHEBI:30796 ! (R)-malic acid [Term] id: CHEBI:30812 name: iron dichloride namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "125.873" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "126.75040" RELATED MASS [ChEBI] synonym: "[FeCl2]" RELATED [MolBase] synonym: "Cl2Fe" RELATED FORMULA [ChEBI] synonym: "Cl[Fe]Cl" RELATED SMILES [ChEBI] synonym: "FeCl2" RELATED [IUPAC] synonym: "ferrous chloride" RELATED [ChemIDplus] synonym: "InChI=1S/2ClH.Fe/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI] synonym: "iron dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "iron(2+) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "iron(II) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "NMCUIPGRVMDVDB-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] xref: CAS:7758-94-3 "NIST Chemistry WebBook" xref: Drug_Central:4543 "DrugCentral" xref: Gmelin:1398 "Gmelin" xref: MolBase:315 xref: Wikipedia:Iron(II)_chloride is_a: CHEBI:33892 ! iron coordination entity [Term] id: CHEBI:30813 name: decanoic acid namespace: chebi_ontology alt_id: CHEBI:23572 alt_id: CHEBI:41906 alt_id: CHEBI:4347 def: "A C10, straight-chain saturated fatty acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-nonanecarboxylic acid" RELATED [ChemIDplus] synonym: "10:0" RELATED [ChEBI] synonym: "172.146" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "172.265" RELATED MASS [ChEBI] synonym: "C(CCCCCC)CCC(=O)O" RELATED SMILES [ChEBI] synonym: "C10:0" RELATED [ChEBI] synonym: "C10H20O2" RELATED FORMULA [ChEBI] synonym: "capric acid" RELATED [ChEBI] synonym: "caprinic acid" RELATED [NIST_Chemistry_WebBook] synonym: "CH3-[CH2]8-COOH" RELATED [IUPAC] synonym: "Decanoate" RELATED [KEGG_COMPOUND] synonym: "DECANOIC ACID" EXACT [PDBeChem] synonym: "Decanoic acid" EXACT [KEGG_COMPOUND] synonym: "decanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "decoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Decylic acid" RELATED [KEGG_COMPOUND] synonym: "Dekansaeure" RELATED [ChEBI] synonym: "GHVNFZFCNZKVNT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" RELATED InChI [ChEBI] synonym: "Kaprinsaeure" RELATED [ChEBI] synonym: "n-Capric acid" RELATED [KEGG_COMPOUND] synonym: "n-decanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-decoic acid" RELATED [ChemIDplus] synonym: "n-decylic acid" RELATED [ChemIDplus] xref: Beilstein:1754556 "Beilstein" xref: CAS:334-48-5 "ChemIDplus" xref: DrugBank:DB03600 xref: ECMDB:ECMDB21204 xref: Gmelin:69184 "Gmelin" xref: HMDB:HMDB00511 xref: KEGG:C01571 xref: KNApSAcK:C00001213 xref: LIPID_MAPS_instance:LMFA01010010 "LIPID MAPS" xref: MetaCyc:CPD-3617 xref: PDBeChem:DKA xref: PMID:19168249 "Europe PMC" xref: PMID:20661498 "Europe PMC" xref: PMID:24284257 "Europe PMC" xref: PMID:24357269 "Europe PMC" xref: YMDB:YMDB00677 is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_parent_hydride CHEBI:41808 ! decane relationship: has_role CHEBI:27311 ! volatile oil component relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:27689 ! decanoate [Term] id: CHEBI:30849 name: L-arabinose namespace: chebi_ontology alt_id: CHEBI:13076 def: "The L-enantiomer of arabinose." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "C5H10O5" RELATED FORMULA [ChEBI] synonym: "L-Ara" RELATED [JCBN] synonym: "L-arabino-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "L-arabinose" EXACT IUPAC_NAME [IUPAC] xref: CAS:5328-37-0 "ChemIDplus" xref: PMID:17336832 "Europe PMC" xref: PMID:23545138 "Europe PMC" xref: PMID:23949136 "Europe PMC" xref: PMID:24078190 "Europe PMC" xref: PMID:24195072 "Europe PMC" is_a: CHEBI:22599 ! arabinose relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite [Term] id: CHEBI:30852 name: galactaric acid namespace: chebi_ontology alt_id: CHEBI:24137 alt_id: CHEBI:4130 alt_id: CHEBI:5250 def: "A hexaric acid resulting from formal oxidative ring cleavage of galactose." [] subset: 3_STAR synonym: "(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "210.038" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "210.13880" RELATED MASS [ChEBI] synonym: "acido galactarico" RELATED [ChEBI] synonym: "acido mucico" RELATED [ChEBI] synonym: "C6H10O8" RELATED FORMULA [KEGG_COMPOUND] synonym: "DSLZVSRJTYRBFB-DUHBMQHGSA-N" RELATED InChIKey [ChEBI] synonym: "Galactaric acid" EXACT [KEGG_COMPOUND] synonym: "Galactarsaeure" RELATED [ChEBI] synonym: "Galactosaccharic acid" RELATED [HMDB] synonym: "Galaktarsaeure" RELATED [ChEBI] synonym: "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-" RELATED InChI [ChEBI] synonym: "meso-galactaric acid" EXACT IUPAC_NAME [IUPAC] synonym: "Mucic acid" RELATED [KEGG_COMPOUND] synonym: "Mucinsaeure" RELATED [ChEBI] synonym: "O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "Saccharolactic acid" RELATED [HMDB] synonym: "Schleimsaeure" RELATED [ChemIDplus] xref: Beilstein:1728117 "ChemIDplus" xref: CAS:526-99-8 "KEGG COMPOUND" xref: Gmelin:165629 "Gmelin" xref: HMDB:HMDB00639 xref: KEGG:C00879 xref: MetaCyc:D-GALACTARATE xref: Patent:WO2010072902 xref: PMID:11675026 "Europe PMC" xref: PMID:12459157 "Europe PMC" xref: PMID:1288842 "Europe PMC" xref: PMID:16667263 "Europe PMC" xref: PMID:23052862 "Europe PMC" xref: Reaxys:1728117 "Reaxys" xref: Wikipedia:Galactaric_acid is_a: CHEBI:24577 ! hexaric acid relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:35390 ! galactarate(1-) [Term] id: CHEBI:30854 name: indole-3-acetate namespace: chebi_ontology alt_id: CHEBI:14447 alt_id: CHEBI:14452 alt_id: CHEBI:24801 def: "An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid." [] subset: 3_STAR synonym: "(indol-3-yl)acetate" RELATED [UniProt] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "174.056" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "174.17660" RELATED MASS [ChEBI] synonym: "1H-indol-3-ylacetate" EXACT IUPAC_NAME [IUPAC] synonym: "2-(indol-3-yl)ethanoate" RELATED [ChEBI] synonym: "[O-]C(=O)Cc1c[nH]c2ccccc12" RELATED SMILES [ChEBI] synonym: "C10H8NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1" RELATED InChI [ChEBI] synonym: "SEOVTRFCIGRIMH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3906817 "Beilstein" xref: Gmelin:329972 "Gmelin" xref: Reaxys:3906817 "Reaxys" is_a: CHEBI:38468 ! indol-3-yl carboxylic acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16411 ! indole-3-acetic acid [Term] id: CHEBI:30879 name: alcohol namespace: chebi_ontology alt_id: CHEBI:13804 alt_id: CHEBI:22288 alt_id: CHEBI:2553 def: "A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "17.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "Alcohol" EXACT [KEGG_COMPOUND] synonym: "alcohols" EXACT IUPAC_NAME [IUPAC] synonym: "an alcohol" RELATED [UniProt] synonym: "HOR" RELATED FORMULA [ChEBI] synonym: "O[*]" RELATED SMILES [ChEBI] xref: KEGG:C00069 is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:30911 name: glucitol namespace: chebi_ontology alt_id: CHEBI:15093 alt_id: CHEBI:26724 alt_id: CHEBI:26726 alt_id: CHEBI:33795 alt_id: CHEBI:33796 alt_id: CHEBI:9201 subset: 3_STAR synonym: "C6H14O6" RELATED FORMULA [ChEBI] synonym: "glucitol" EXACT IUPAC_NAME [IUPAC] synonym: "gulitol" RELATED [ChEBI] synonym: "rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol" RELATED [IUPAC] synonym: "Sorbitol" RELATED [KEGG_COMPOUND] synonym: "sorbitol" RELATED [UniProt] xref: Beilstein:1721909 "Beilstein" xref: Gmelin:83165 "Gmelin" xref: Wikipedia:Sorbitol is_a: CHEBI:24583 ! hexitol relationship: has_role CHEBI:76924 ! plant metabolite [Term] id: CHEBI:30924 name: L-tartrate(2-) namespace: chebi_ontology alt_id: CHEBI:10961 alt_id: CHEBI:11018 alt_id: CHEBI:18711 subset: 3_STAR synonym: "(+)-tartrate" RELATED [ChEBI] synonym: "(2R,3R)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3R)-2,3-dihydroxysuccinate" RELATED [ChEBI] synonym: "(2R,3R)-tartrate" RELATED [UniProt] synonym: "(2R,3R)-tartrate" RELATED [ChEBI] synonym: "(R,R)-Tartrate" RELATED [KEGG_COMPOUND] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "148.001" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.07096" RELATED MASS [ChEBI] synonym: "C4H4O6" RELATED FORMULA [ChEBI] synonym: "FEWJPZIEWOKRBE-JCYAYHJZSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2/t1-,2-/m1/s1" RELATED InChI [ChEBI] synonym: "L-threarate" RELATED [ChEBI] synonym: "O[C@H]([C@@H](O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:3906378 "Beilstein" xref: CAS:87-69-4 "KEGG COMPOUND" xref: Gmelin:305937 "Gmelin" xref: KEGG:C00898 is_a: CHEBI:15193 ! tartrate(2-) relationship: is_conjugate_base_of CHEBI:35398 ! L-tartrate(1-) relationship: is_enantiomer_of CHEBI:30927 ! D-tartrate(2-) [Term] id: CHEBI:30927 name: D-tartrate(2-) namespace: chebi_ontology alt_id: CHEBI:11077 alt_id: CHEBI:18807 subset: 3_STAR synonym: "(-)-tartrate" RELATED [ChEBI] synonym: "(2S,3S)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "(2S,3S)-2,3-dihydroxysuccinate" RELATED [ChEBI] synonym: "(2S,3S)-tartrate" RELATED [ChEBI] synonym: "(S,S)-tartrate" RELATED [UniProt] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "148.001" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.07096" RELATED MASS [ChEBI] synonym: "C4H4O6" RELATED FORMULA [ChEBI] synonym: "D-threarate" RELATED [ChEBI] synonym: "FEWJPZIEWOKRBE-LWMBPPNESA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2/t1-,2-/m0/s1" RELATED InChI [ChEBI] synonym: "O[C@@H]([C@H](O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:5740672 "Beilstein" xref: Gmelin:326909 "Gmelin" is_a: CHEBI:15193 ! tartrate(2-) relationship: is_conjugate_base_of CHEBI:35399 ! D-tartrate(1-) relationship: is_enantiomer_of CHEBI:30924 ! L-tartrate(2-) [Term] id: CHEBI:30928 name: meso-tartrate(2-) namespace: chebi_ontology alt_id: CHEBI:12824 alt_id: CHEBI:25207 subset: 3_STAR synonym: "(2R,3S)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3S)-2,3-dihydroxysuccinate" RELATED [ChEBI] synonym: "(2R,3S)-tartrate" RELATED [UniProt] synonym: "(2R,3S)-tartrate" RELATED [ChEBI] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "148.001" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.07096" RELATED MASS [ChEBI] synonym: "C4H4O6" RELATED FORMULA [ChEBI] synonym: "erythrarate" RELATED [ChEBI] synonym: "FEWJPZIEWOKRBE-XIXRPRMCSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2/t1-,2+" RELATED InChI [ChEBI] synonym: "O[C@@H]([C@@H](O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:3906377 "Beilstein" xref: Gmelin:326908 "Gmelin" is_a: CHEBI:30929 ! 2,3-dihydroxybutanedioate relationship: is_conjugate_base_of CHEBI:35400 ! meso-tartrate(1-) [Term] id: CHEBI:30929 name: 2,3-dihydroxybutanedioate namespace: chebi_ontology alt_id: CHEBI:26850 def: "A tartaric acid anion that is the conjugate base of 3-carboxy-2,3-dihydroxypropanoate." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "148.001" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.07096" RELATED MASS [ChEBI] synonym: "2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "2,3-dihydroxysuccinate" RELATED [ChEBI] synonym: "C4H4O6" RELATED FORMULA [ChEBI] synonym: "FEWJPZIEWOKRBE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2" RELATED InChI [ChEBI] synonym: "OC(C(O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "tartrate" RELATED [UniProt] xref: Beilstein:1876435 "Beilstein" is_a: CHEBI:132950 ! tartrate is_a: CHEBI:61336 ! C4-dicarboxylate relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:48929 ! 3-carboxy-2,3-dihydroxypropanoate [Term] id: CHEBI:30938 name: 6-aminopenicillanate namespace: chebi_ontology alt_id: CHEBI:12207 alt_id: CHEBI:20704 subset: 3_STAR synonym: "(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "215.049" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "215.25062" RELATED MASS [ChEBI] synonym: "[H][C@@]1(N)C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C([O-])=O" RELATED SMILES [ChEBI] synonym: "C8H11N2O3S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/p-1/t3-,4+,6-/m1/s1" RELATED InChI [ChEBI] synonym: "NGHVIOIJCVXTGV-ALEPSDHESA-M" RELATED InChIKey [ChEBI] xref: Gmelin:604420 "Gmelin" xref: KEGG:C02954 "ChEBI" is_a: CHEBI:51356 ! penicillinate anion relationship: is_conjugate_acid_of CHEBI:16705 ! 6-aminopenicillanic acid relationship: is_conjugate_base_of CHEBI:57869 ! 6-aminopenicillanic acid zwitterion [Term] id: CHEBI:3098 name: bile acid namespace: chebi_ontology def: "Any member of a group of steroid carboxylic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine." [] subset: 3_STAR synonym: "Bile acid" EXACT [KEGG_COMPOUND] synonym: "bile acids" RELATED [ChEBI] synonym: "Bile salt" RELATED [KEGG_COMPOUND] synonym: "Gallensaeure" RELATED [ChEBI] synonym: "Gallensaeuren" RELATED [ChEBI] xref: KEGG:C01558 is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:36235 ! bile acid anion [Term] id: CHEBI:30985 name: 4,4'-bipyridine namespace: chebi_ontology def: "A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "156.069" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "156.18400" RELATED MASS [ChEBI] synonym: "4,4'-bipyridine" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-bipyridyl" RELATED [ChemIDplus] synonym: "4,4'-bpy" RELATED [IUPAC] synonym: "4,4'-dipyridine" RELATED [NIST_Chemistry_WebBook] synonym: "4,4'-dipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "4,4-Bipyridin" RELATED [ChEBI] synonym: "4-(4-pyridyl)pyridine" RELATED [ChemIDplus] synonym: "C10H8N2" RELATED FORMULA [ChEBI] synonym: "c1cc(ccn1)-c1ccncc1" RELATED SMILES [ChEBI] synonym: "gamma,gamma'-bipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "gamma,gamma'-dipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H" RELATED InChI [ChEBI] synonym: "MWVTWFVJZLCBMC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:113176 "Beilstein" xref: CAS:553-26-4 "NIST Chemistry WebBook" xref: Gmelin:3759 "Gmelin" xref: PMID:24022647 "Europe PMC" xref: PMID:24358992 "Europe PMC" xref: PMID:24446585 "Europe PMC" xref: Reaxys:113176 "Reaxys" xref: Wikipedia:4\,4%27-Bipyridine is_a: CHEBI:35545 ! bipyridine [Term] id: CHEBI:31011 name: valerate namespace: chebi_ontology alt_id: CHEBI:14751 alt_id: CHEBI:25890 def: "A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "101.060" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "101.12376" RELATED MASS [ChEBI] synonym: "C5H9O2" RELATED FORMULA [ChEBI] synonym: "CCCCC([O-])=O" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]3-COO(-)" RELATED [IUPAC] synonym: "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1" RELATED InChI [ChEBI] synonym: "n-propylacetate" RELATED [ChEBI] synonym: "NQPDZGIKBAWPEJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "pentanoate" RELATED [UniProt] synonym: "pentanoic acid, ion(1-)" RELATED [ChemIDplus] xref: Beilstein:3903735 "Beilstein" xref: CAS:10023-74-2 "ChemIDplus" xref: Gmelin:325619 "Gmelin" xref: PMID:17314444 "Europe PMC" xref: PMID:18783570 "Europe PMC" xref: Reaxys:3903735 "Reaxys" is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:17418 ! valeric acid [Term] id: CHEBI:3110 name: biotinyl-5'-AMP namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "5'-O-[hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)phosphoryl]adenosine" EXACT IUPAC_NAME [IUPAC] synonym: "573.141" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "573.51786" RELATED MASS [ChEBI] synonym: "[H][C@]12CS[C@@H](CCCCC(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2" RELATED SMILES [ChEBI] synonym: "Biotinyl-5'-AMP" EXACT [KEGG_COMPOUND] synonym: "C20H28N7O9PS" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1" RELATED InChI [ChEBI] synonym: "UTQCSTJVMLODHM-RHCAYAJFSA-N" RELATED InChIKey [ChEBI] xref: KEGG:C05921 xref: Reaxys:20733000 "Reaxys" is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate relationship: has_functional_parent CHEBI:15956 ! biotin relationship: has_functional_parent CHEBI:16027 ! AMP relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:62414 ! biotinyl-5'-AMP(1-) [Term] id: CHEBI:31206 name: ammonium chloride namespace: chebi_ontology def: "An inorganic chloride having ammonium as the counterion." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "53.003" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "53.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "53.49120" RELATED MASS [ChEBI] synonym: "[Cl-].[H][N+]([H])([H])[H]" RELATED SMILES [ChEBI] synonym: "[NH4]Cl" RELATED [IUPAC] synonym: "Ammonium chloride" EXACT [KEGG_COMPOUND] synonym: "ammonium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Ammoniumchlorid" RELATED [NIST_Chemistry_WebBook] synonym: "azanium chloride" RELATED [ChEBI] synonym: "Cl.H4N" RELATED FORMULA [KEGG_COMPOUND] synonym: "ClH4N" RELATED FORMULA [ChEBI] synonym: "InChI=1S/ClH.H3N/h1H;1H3" RELATED InChI [ChEBI] synonym: "NH4Cl" RELATED [IUPAC] synonym: "NLXLAEXVIDQMFP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:12125-02-9 "ChemIDplus" xref: Gmelin:10120 "Gmelin" xref: KEGG:C12538 xref: KEGG:D01139 xref: Wikipedia:Ammonium_Chloride is_a: CHEBI:36093 ! inorganic chloride is_a: CHEBI:47704 ! ammonium salt [Term] id: CHEBI:31460 name: desferrioxamine B mesylate namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "656.341" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "656.341" RELATED MONOISOTOPIC_MASS [KEGG_DRUG] synonym: "656.79092" RELATED MASS [ChEBI] synonym: "[H+].CS([O-])(=O)=O.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN" RELATED SMILES [ChEBI] synonym: "C25H48N6O8.CH4SO3" RELATED FORMULA [KEGG_DRUG] synonym: "C26H52N6SO11" RELATED FORMULA [ChEBI] synonym: "Deferoxamine B mesylate" RELATED [ChemIDplus] synonym: "Deferoxamine mesylate" RELATED [ChemIDplus] synonym: "Deferoxamine methanesulfonate" RELATED [ChemIDplus] synonym: "Desferal" RELATED BRAND_NAME [DrugBank] synonym: "Desferin" RELATED BRAND_NAME [DrugBank] synonym: "Desferrioxamine mesylate" RELATED [ChemIDplus] synonym: "Desferrioxamine methanesulfonate" RELATED [ChemIDplus] synonym: "IDDIJAWJANBQLJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)" RELATED InChI [ChEBI] synonym: "N'-{5-[acetyl(hydroxy)amino]pentyl}-N-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N-hydroxybutanediamide methanesulfonate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:6047788 "Beilstein" xref: CAS:138-14-7 "ChemIDplus" xref: DrugBank:DB00746 xref: KEGG:D01186 is_a: CHEBI:38037 ! methanesulfonate salt relationship: has_part CHEBI:4356 ! desferrioxamine B relationship: has_role CHEBI:38157 ! iron chelator relationship: has_role CHEBI:50247 ! antidote [Term] id: CHEBI:32114 name: salicylamide namespace: chebi_ontology def: "The simplest member of the class of salicylamides derived from salicylic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "137.048" RELATED MONOISOTOPIC_MASS [KEGG_DRUG] synonym: "137.13600" RELATED MASS [ChEBI] synonym: "2-Carbamoylphenol" RELATED [ChemIDplus] synonym: "2-Carboxamidophenol" RELATED [ChemIDplus] synonym: "2-Hydroxybenzamide" RELATED [ChemIDplus] synonym: "2-hydroxybenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "C7H7NO2" RELATED FORMULA [KEGG_DRUG] synonym: "InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)" RELATED InChI [ChEBI] synonym: "NC(=O)c1ccccc1O" RELATED SMILES [ChEBI] synonym: "o-Hydroxybenzamide" RELATED [ChemIDplus] synonym: "OHB" RELATED [NIST_Chemistry_WebBook] synonym: "salicilamida" RELATED INN [ChemIDplus] synonym: "salicylamide" RELATED INN [KEGG_DRUG] synonym: "salicylamidum" RELATED INN [ChemIDplus] synonym: "Salicylic Acid amide" RELATED [NIST_Chemistry_WebBook] synonym: "SKZKKFZAGNVIMN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:742439 "Beilstein" xref: CAS:65-45-2 "NIST Chemistry WebBook" xref: Drug_Central:2415 "DrugCentral" xref: DrugBank:DB08797 xref: Gmelin:142521 "Gmelin" xref: KEGG:D01811 xref: PDBeChem:OHB xref: PMID:14729655 "Europe PMC" xref: PMID:1650428 "Europe PMC" xref: PMID:22530891 "Europe PMC" xref: Reaxys:742439 "Reaxys" xref: Wikipedia:Salicylamide is_a: CHEBI:33853 ! phenols is_a: CHEBI:53443 ! salicylamides relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35842 ! antirheumatic drug [Term] id: CHEBI:32234 name: titanium dioxide namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "79.86580" RELATED MASS [ChEBI] synonym: "79.938" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[TiO2]" RELATED [MolBase] synonym: "bis(oxido)titanium" EXACT IUPAC_NAME [IUPAC] synonym: "dioxido de titanio" RELATED [ChEBI] synonym: "dioxyde de titane" RELATED [ChEBI] synonym: "E 171" RELATED [ChEBI] synonym: "GWEVSGVZZGPLCZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/2O.Ti" RELATED InChI [ChEBI] synonym: "O2Ti" RELATED FORMULA [KEGG_COMPOUND] synonym: "O=[Ti]=O" RELATED SMILES [ChEBI] synonym: "oxido de titanio(IV)" RELATED [ChEBI] synonym: "TiO2" RELATED [IUPAC] synonym: "Titandioxid" RELATED [ChemIDplus] synonym: "titania" RELATED [ChemIDplus] synonym: "Titanium dioxide" EXACT [KEGG_COMPOUND] synonym: "titanium dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "Titanium oxide" RELATED [KEGG_COMPOUND] synonym: "titanium(IV) oxide" EXACT IUPAC_NAME [IUPAC] xref: CAS:13463-67-7 "KEGG COMPOUND" xref: Drug_Central:4237 "DrugCentral" xref: Gmelin:833511 "Gmelin" xref: Gmelin:9354 "Gmelin" xref: KEGG:C13409 xref: KEGG:D01931 xref: MolBase:272 xref: Wikipedia:Titanium_Dioxide is_a: CHEBI:134438 ! titanium oxides relationship: has_role CHEBI:77182 ! food colouring [Term] id: CHEBI:32398 name: D-glyceric acid namespace: chebi_ontology alt_id: CHEBI:21030 alt_id: CHEBI:4187 alt_id: CHEBI:41990 def: "The D-enantiomer of glyceric acid." [] subset: 3_STAR synonym: "(2R)-2,3-dihydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "106.027" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "106.07734" RELATED MASS [ChEBI] synonym: "alpha,beta-Hydroxypropionic acid" RELATED [HMDB] synonym: "C3H6O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-Glyceric acid" EXACT [HMDB] synonym: "D-GroA" RELATED [ChEBI] synonym: "Glyceric acid" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "R-glyceric acid" RELATED [ChEBI] synonym: "RBNPOMFGQQGHHO-UWTATZPHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1721418 "Beilstein" xref: CAS:473-81-4 "KEGG COMPOUND" xref: ECMDB:ECMDB04077 xref: HMDB:HMDB00139 xref: KEGG:C00258 xref: KNApSAcK:C00001185 xref: MetaCyc:GLYCERATE xref: Patent:JP2009153507 xref: Patent:JP2009159826 xref: PDBeChem:DGY xref: PMID:17439666 "Europe PMC" xref: PMID:18853153 "Europe PMC" xref: PMID:19621222 "Europe PMC" xref: PMID:21852749 "Europe PMC" xref: PMID:22226201 "Europe PMC" xref: PMID:22290646 "Europe PMC" xref: Reaxys:1721418 "Reaxys" xref: YMDB:YMDB02299 is_a: CHEBI:33508 ! glyceric acid relationship: is_conjugate_acid_of CHEBI:16659 ! D-glycerate relationship: is_enantiomer_of CHEBI:74324 ! L-glyceric acid [Term] id: CHEBI:32431 name: L-alaninate namespace: chebi_ontology def: "The L-enantiomer of alaninate." [] subset: 3_STAR synonym: "(2S)-2-aminopropanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "88.040" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "88.08528" RELATED MASS [ChEBI] synonym: "C3H6NO2" RELATED FORMULA [ChEBI] synonym: "C[C@H](N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-alaninate" EXACT IUPAC_NAME [IUPAC] synonym: "L-alanine anion" RELATED [JCBN] synonym: "QNAYBMKLOCPYGJ-REOHCLBHSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4126899 "Beilstein" xref: Gmelin:324350 "Gmelin" is_a: CHEBI:32439 ! alaninate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:16977 ! L-alanine relationship: is_enantiomer_of CHEBI:32435 ! D-alaninate [Term] id: CHEBI:32432 name: L-alaninium namespace: chebi_ontology def: "The L-enantiomer of alaninium." [] subset: 3_STAR synonym: "(1S)-1-carboxyethanaminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "90.056" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "90.10116" RELATED MASS [ChEBI] synonym: "C3H8NO2" RELATED FORMULA [ChEBI] synonym: "C[C@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-alanine cation" RELATED [JCBN] synonym: "L-alaninium" EXACT IUPAC_NAME [IUPAC] synonym: "QNAYBMKLOCPYGJ-REOHCLBHSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:362664 "Gmelin" is_a: CHEBI:32440 ! alaninium relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:16977 ! L-alanine relationship: is_enantiomer_of CHEBI:32436 ! D-alaninium [Term] id: CHEBI:32435 name: D-alaninate namespace: chebi_ontology def: "The D-enantiomer of alaninate." [] subset: 3_STAR synonym: "(2R)-2-aminopropanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "88.040" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "88.08528" RELATED MASS [ChEBI] synonym: "C3H6NO2" RELATED FORMULA [ChEBI] synonym: "C[C@@H](N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "D-alaninate" EXACT IUPAC_NAME [IUPAC] synonym: "D-alanine anion" RELATED [JCBN] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "QNAYBMKLOCPYGJ-UWTATZPHSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4781244 "Beilstein" xref: Gmelin:745914 "Gmelin" is_a: CHEBI:32439 ! alaninate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15570 ! D-alanine relationship: is_enantiomer_of CHEBI:32431 ! L-alaninate [Term] id: CHEBI:32436 name: D-alaninium namespace: chebi_ontology def: "An alaninium that is the conjugate acid of D-alanine." [] subset: 3_STAR synonym: "(1R)-1-carboxyethanaminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "90.056" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "90.10116" RELATED MASS [ChEBI] synonym: "C3H8NO2" RELATED FORMULA [ChEBI] synonym: "C[C@@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "D-alanine cation" RELATED [JCBN] synonym: "D-alaninium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "QNAYBMKLOCPYGJ-UWTATZPHSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:32440 ! alaninium relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:15570 ! D-alanine relationship: is_enantiomer_of CHEBI:32432 ! L-alaninium [Term] id: CHEBI:32439 name: alaninate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-aminopropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "88.040" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "88.08528" RELATED MASS [ChEBI] synonym: "alaninate" EXACT [JCBN] synonym: "alanine anion" RELATED [JCBN] synonym: "C3H6NO2" RELATED FORMULA [ChEBI] synonym: "CC(N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1" RELATED InChI [ChEBI] synonym: "QNAYBMKLOCPYGJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3903719 "Beilstein" xref: Gmelin:101040 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_base_of CHEBI:16449 ! alanine [Term] id: CHEBI:32440 name: alaninium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of alanine." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "1-carboxyethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "90.056" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "90.10116" RELATED MASS [ChEBI] synonym: "alanine cation" RELATED [JCBN] synonym: "alaninium" EXACT [JCBN] synonym: "C3H8NO2" RELATED FORMULA [ChEBI] synonym: "CC([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1" RELATED InChI [ChEBI] synonym: "QNAYBMKLOCPYGJ-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:362663 "Gmelin" is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_acid_of CHEBI:16449 ! alanine [Term] id: CHEBI:32442 name: L-cysteinate(1-) namespace: chebi_ontology def: "The L-enantiomer of cysteinate(1-)." [] subset: 3_STAR synonym: "(2R)-2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2R)-2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "120.012" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.15128" RELATED MASS [ChEBI] synonym: "C3H6NO2S" RELATED FORMULA [ChEBI] synonym: "hydrogen L-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-cysteinate(1-)" EXACT [JCBN] synonym: "L-cysteine anion" RELATED [NIST_Chemistry_WebBook] synonym: "L-cysteine monoanion" RELATED [JCBN] synonym: "N[C@@H](CS)C([O-])=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-REOHCLBHSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4128886 "Beilstein" xref: Gmelin:325857 "Gmelin" xref: Reaxys:4128886 "Reaxys" is_a: CHEBI:32456 ! cysteinate(1-) is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32443 ! L-cysteinate(2-) relationship: is_conjugate_base_of CHEBI:17561 ! L-cysteine relationship: is_conjugate_base_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32449 ! D-cysteinate(1-) [Term] id: CHEBI:32443 name: L-cysteinate(2-) namespace: chebi_ontology def: "The L-enantiomer of cysteinate(2-)." [] subset: 3_STAR synonym: "(2R)-2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "119.004" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "119.14334" RELATED MASS [ChEBI] synonym: "C3H5NO2S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteinate(2-)" EXACT [JCBN] synonym: "L-cysteine dianion" RELATED [JCBN] synonym: "N[C@@H](C[S-])C([O-])=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-REOHCLBHSA-L" RELATED InChIKey [ChEBI] xref: Beilstein:5921923 "Beilstein" xref: Gmelin:325856 "Gmelin" xref: Reaxys:5921923 "Reaxys" is_a: CHEBI:32457 ! cysteinate(2-) relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_enantiomer_of CHEBI:32450 ! D-cysteinate(2-) [Term] id: CHEBI:32445 name: L-cysteinium namespace: chebi_ontology def: "The L-enantiomer of cysteinium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "(1R)-1-carboxy-2-sulfanylethanaminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "122.028" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "122.16716" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H](CS)C(O)=O" RELATED SMILES [ChEBI] synonym: "C3H8NO2S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-cysteine cation" RELATED [JCBN] synonym: "L-cysteinium" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteinium(1+)" RELATED [ChEBI] synonym: "XUJNEKJLAYXESH-REOHCLBHSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:325860 "Gmelin" is_a: CHEBI:32458 ! cysteinium relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:17561 ! L-cysteine relationship: is_conjugate_acid_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32451 ! D-cysteinium [Term] id: CHEBI:32449 name: D-cysteinate(1-) namespace: chebi_ontology def: "The D-enantiomer of cysteinate(1-)." [] subset: 3_STAR synonym: "(2S)-2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2S)-2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "120.012" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.15128" RELATED MASS [ChEBI] synonym: "C3H6NO2S" RELATED FORMULA [ChEBI] synonym: "D-cysteinate(1-)" EXACT [JCBN] synonym: "D-cysteine monoanion" RELATED [JCBN] synonym: "hydrogen D-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](CS)C([O-])=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-UWTATZPHSA-M" RELATED InChIKey [ChEBI] xref: Gmelin:1006156 "Gmelin" is_a: CHEBI:32456 ! cysteinate(1-) relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32450 ! D-cysteinate(2-) relationship: is_conjugate_base_of CHEBI:16375 ! D-cysteine relationship: is_conjugate_base_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32442 ! L-cysteinate(1-) [Term] id: CHEBI:32450 name: D-cysteinate(2-) namespace: chebi_ontology def: "The D-enantiomer of cysteinate(2-)." [] subset: 3_STAR synonym: "(2S)-2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "119.004" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "119.14334" RELATED MASS [ChEBI] synonym: "C3H5NO2S" RELATED FORMULA [ChEBI] synonym: "D-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-cysteinate(2-)" EXACT [JCBN] synonym: "D-cysteine dianion" RELATED [JCBN] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](C[S-])C([O-])=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-UWTATZPHSA-L" RELATED InChIKey [ChEBI] xref: Gmelin:1342792 "Gmelin" is_a: CHEBI:32457 ! cysteinate(2-) relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_enantiomer_of CHEBI:32443 ! L-cysteinate(2-) [Term] id: CHEBI:32451 name: D-cysteinium namespace: chebi_ontology def: "The D-enantiomer of cysteinium." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "(1S)-1-carboxy-2-sulfanylethanaminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "122.028" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "122.16716" RELATED MASS [ChEBI] synonym: "[NH3+][C@H](CS)C(O)=O" RELATED SMILES [ChEBI] synonym: "C3H8NO2S" RELATED FORMULA [ChEBI] synonym: "D-cysteine cation" RELATED [JCBN] synonym: "D-cysteinium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "XUJNEKJLAYXESH-UWTATZPHSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:363237 "Gmelin" is_a: CHEBI:32458 ! cysteinium relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:16375 ! D-cysteine relationship: is_conjugate_acid_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32445 ! L-cysteinium [Term] id: CHEBI:32456 name: cysteinate(1-) namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "120.012" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.15128" RELATED MASS [ChEBI] synonym: "2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "C3H6NO2S" RELATED FORMULA [ChEBI] synonym: "cys(-)" RELATED [IUPAC] synonym: "cysteinate(1-)" EXACT [JCBN] synonym: "cysteine monoanion" RELATED [JCBN] synonym: "hydrogen cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1" RELATED InChI [ChEBI] synonym: "NC(CS)C([O-])=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4128885 "Beilstein" xref: Gmelin:363235 "Gmelin" xref: Reaxys:4128885 "Reaxys" is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63470 ! sulfur-containing amino-acid anion relationship: is_conjugate_acid_of CHEBI:32457 ! cysteinate(2-) relationship: is_conjugate_base_of CHEBI:15356 ! cysteine relationship: is_conjugate_base_of CHEBI:35237 ! cysteine zwitterion [Term] id: CHEBI:32457 name: cysteinate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "119.004" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "119.14334" RELATED MASS [ChEBI] synonym: "2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "C3H5NO2S" RELATED FORMULA [ChEBI] synonym: "cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "cysteinate(2-)" EXACT [JCBN] synonym: "cysteine dianion" RELATED [JCBN] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2" RELATED InChI [ChEBI] synonym: "NC(C[S-])C([O-])=O" RELATED SMILES [ChEBI] synonym: "XUJNEKJLAYXESH-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] xref: Gmelin:49990 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:32456 ! cysteinate(1-) [Term] id: CHEBI:32458 name: cysteinium namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "1-carboxy-2-sulfanylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "122.028" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "122.16716" RELATED MASS [ChEBI] synonym: "[NH3+]C(CS)C(O)=O" RELATED SMILES [ChEBI] synonym: "C3H8NO2S" RELATED FORMULA [ChEBI] synonym: "cysteine cation" RELATED [JCBN] synonym: "cysteinium" EXACT [JCBN] synonym: "H2cys(+)" RELATED [IUPAC] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1" RELATED InChI [ChEBI] synonym: "XUJNEKJLAYXESH-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:325859 "Gmelin" is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:15356 ! cysteine relationship: is_conjugate_acid_of CHEBI:35237 ! cysteine zwitterion [Term] id: CHEBI:32504 name: phenylalaninate namespace: chebi_ontology def: "An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "164.071" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "164.18120" RELATED MASS [ChEBI] synonym: "2-amino-3-phenylpropanoate" RELATED [IUPAC] synonym: "C9H10NO2" RELATED FORMULA [ChEBI] synonym: "COLNVLDHVKWLRT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1" RELATED InChI [ChEBI] synonym: "NC(Cc1ccccc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "phenylalaninate" EXACT IUPAC_NAME [IUPAC] synonym: "phenylalanine anion" RELATED [JCBN] xref: Gmelin:329083 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63473 ! aromatic amino-acid anion relationship: is_conjugate_base_of CHEBI:28044 ! phenylalanine [Term] id: CHEBI:32505 name: phenylalaninium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "1-carboxy-2-phenylethanaminium" RELATED [IUPAC] synonym: "166.087" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "166.19710" RELATED MASS [ChEBI] synonym: "[NH3+]C(Cc1ccccc1)C(O)=O" RELATED SMILES [ChEBI] synonym: "C9H12NO2" RELATED FORMULA [ChEBI] synonym: "COLNVLDHVKWLRT-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1" RELATED InChI [ChEBI] synonym: "phenylalanine cation" RELATED [JCBN] synonym: "phenylalaninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:28044 ! phenylalanine [Term] id: CHEBI:32507 name: glycinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "76.040" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "76.07458" RELATED MASS [ChEBI] synonym: "[NH3+]CC(O)=O" RELATED SMILES [ChEBI] synonym: "C2H6NO2" RELATED FORMULA [ChEBI] synonym: "carboxymethanaminium" RELATED [IUPAC] synonym: "DHMQDGOQFOQNFH-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "glycine cation" RELATED [JCBN] synonym: "glycinium" EXACT IUPAC_NAME [IUPAC] synonym: "H2gly(+)" RELATED [IUPAC] synonym: "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1" RELATED InChI [ChEBI] synonym: "NH3(+)-CH2-COOH" RELATED [IUPAC] xref: Gmelin:323509 "Gmelin" is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:15428 ! glycine [Term] id: CHEBI:32508 name: glycinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "74.05870" RELATED MASS [ChEBI] synonym: "aminoacetate" RELATED [IUPAC] synonym: "C2H4NO2" RELATED FORMULA [ChEBI] synonym: "DHMQDGOQFOQNFH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "gly(-)" RELATED [IUPAC] synonym: "glycinate" EXACT IUPAC_NAME [IUPAC] synonym: "glycine anion" RELATED [JCBN] synonym: "H2N-CH2-COO(-)" RELATED [IUPAC] synonym: "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1" RELATED InChI [ChEBI] synonym: "NCC([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:1852023 "Beilstein" xref: Gmelin:81890 "Gmelin" xref: Reaxys:1852023 "Reaxys" xref: UM-BBD_compID:c0559 "UM-BBD" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:15428 ! glycine [Term] id: CHEBI:32563 name: lysinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "145.098" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "145.17970" RELATED MASS [ChEBI] synonym: "2,6-diaminohexanoate" RELATED [IUPAC] synonym: "C6H13N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "KDXKERNSBIXSRK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "lys(-)" RELATED [IUPAC] synonym: "lysinate" EXACT IUPAC_NAME [IUPAC] synonym: "lysine anion" RELATED [JCBN] synonym: "NCCCCC(N)C([O-])=O" RELATED SMILES [ChEBI] xref: Gmelin:815095 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:25094 ! lysine [Term] id: CHEBI:32564 name: lysinium(1+) namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "147.113" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.19558" RELATED MASS [ChEBI] synonym: "2,6-diammoniohexanoate" RELATED [IUPAC] synonym: "[NH3+]CCCCC([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "C6H15N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1" RELATED InChI [ChEBI] synonym: "KDXKERNSBIXSRK-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "lysine monocation" RELATED [JCBN] synonym: "lysinium" EXACT IUPAC_NAME [IUPAC] synonym: "lysinium(1+)" EXACT [JCBN] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:25094 ! lysine relationship: is_conjugate_base_of CHEBI:32565 ! lysinium(2+) [Term] id: CHEBI:32565 name: lysinium(2+) namespace: chebi_ontology def: "An alpha-amino-acid cation obtained by protonation of both amino groups of lysine." [] subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "1-carboxypentane-1,5-diaminium" RELATED [IUPAC] synonym: "148.121" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.20352" RELATED MASS [ChEBI] synonym: "[NH3+]CCCCC([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "C6H16N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2" RELATED InChI [ChEBI] synonym: "KDXKERNSBIXSRK-UHFFFAOYSA-P" RELATED InChIKey [ChEBI] synonym: "lysine dication" RELATED [JCBN] synonym: "lysinediium" EXACT IUPAC_NAME [IUPAC] synonym: "lysinium(2+)" EXACT [JCBN] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:32564 ! lysinium(1+) [Term] id: CHEBI:3259 name: CCCP namespace: chebi_ontology subset: 3_STAR synonym: "(3-chlorophenyl)hydrazonomalononitrile" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "204.020" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "204.61566" RELATED MASS [ChEBI] synonym: "[(3-chlorophenyl)hydrazono]malononitrile" RELATED [ChemIDplus] synonym: "[(3-chlorophenyl)hydrazono]propanedinitrile" RELATED [ChemIDplus] synonym: "C9H5ClN4" RELATED FORMULA [KEGG_COMPOUND] synonym: "Carbonyl cyanide m-chlorophenyl hydrazone" RELATED [KEGG_COMPOUND] synonym: "carbonylcyanide-3-chlorophenylhydrazone" RELATED [ChemIDplus] synonym: "CCCP" EXACT [KEGG_COMPOUND] synonym: "Clc1cccc(NN=C(C#N)C#N)c1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H" RELATED InChI [ChEBI] synonym: "N'-(3-chlorophenyl)carbonohydrazonoyl dicyanide" EXACT IUPAC_NAME [IUPAC] synonym: "UGTJLJZQQFGTJD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1842102 "ChemIDplus" xref: CAS:555-60-2 "KEGG COMPOUND" xref: KEGG:C11164 xref: LINCS:LSM-2341 is_a: CHEBI:18379 ! nitrile is_a: CHEBI:38532 ! hydrazone is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:33189 ! hydrazonomalononitrile [Term] id: CHEBI:32599 name: magnesium sulfate namespace: chebi_ontology def: "A magnesium salt having sulfate as the counterion." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "119.937" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.36860" RELATED MASS [ChEBI] synonym: "[Mg++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "CSNNHWWHGAXBCP-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI] synonym: "magnesium sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Magnesium sulfate (1:1)" RELATED [ChemIDplus] synonym: "magnesium sulfate anhydrous" RELATED [ChemIDplus] synonym: "magnesium sulphate" RELATED [NIST_Chemistry_WebBook] synonym: "magnesium(II) sulfate" RELATED [NIST_Chemistry_WebBook] synonym: "Magnesiumsulfat" RELATED [ChEBI] synonym: "MgO4S" RELATED FORMULA [ChEBI] synonym: "MgSO4" RELATED [IUPAC] xref: CAS:7487-88-9 "NIST Chemistry WebBook" xref: colombos:MgSO4 xref: DrugBank:DB00653 xref: PMID:8991630 "Europe PMC" xref: Reaxys:4208125 "Reaxys" is_a: CHEBI:33975 ! magnesium salt is_a: CHEBI:51336 ! metal sulfate relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:38867 ! anaesthetic relationship: has_role CHEBI:66993 ! tocolytic agent [Term] id: CHEBI:32600 name: tetracene namespace: chebi_ontology def: "An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,3-benzanthracene" RELATED [NIST_Chemistry_WebBook] synonym: "228.094" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "228.28788" RELATED MASS [ChEBI] synonym: "benz[b]anthracene" RELATED [NIST_Chemistry_WebBook] synonym: "C18H12" RELATED FORMULA [ChEBI] synonym: "c1ccc2cc3cc4ccccc4cc3cc2c1" RELATED SMILES [ChEBI] synonym: "IFLREYGFSNHWGE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H" RELATED InChI [ChEBI] synonym: "naphthacene" RELATED [IUPAC] synonym: "tetracene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1909299 "Beilstein" xref: CAS:92-24-0 "NIST Chemistry WebBook" xref: Gmelin:306993 "Gmelin" xref: PMID:11493061 "Europe PMC" xref: PMID:24655187 "Europe PMC" xref: Reaxys:1909299 "Reaxys" xref: Wikipedia:Tetracene is_a: CHEBI:35297 ! acene is_a: CHEBI:51270 ! tetracenes [Term] id: CHEBI:32612 name: isoleucinate namespace: chebi_ontology subset: 3_STAR synonym: "ile(-)" RELATED [IUPAC] synonym: "isoleucinate" EXACT IUPAC_NAME [IUPAC] synonym: "isoleucine anion" RELATED [JCBN] synonym: "rel-(2R,3R)-2-amino-3-methylpentanoate" RELATED [IUPAC] xref: Gmelin:101585 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:24898 ! isoleucine [Term] id: CHEBI:32613 name: isoleucinium namespace: chebi_ontology subset: 3_STAR synonym: "H2ile(+)" RELATED [IUPAC] synonym: "isoleucine cation" RELATED [JCBN] synonym: "isoleucinium" EXACT IUPAC_NAME [IUPAC] synonym: "rel-(1R,2R)-1-carboxy-2-methylbutan-1-aminium" RELATED [IUPAC] xref: Gmelin:1651827 "Gmelin" is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:24898 ! isoleucine [Term] id: CHEBI:326268 name: 1,4-butanediammonium namespace: chebi_ontology def: "An alkane-alpha,omega-diammonium(2+) that is the dication of putrescine (1,4-butanediamine) arising from protonation of both primary amino groups; major species at pH 7.3." [] subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "90.116" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "90.16740" RELATED MASS [ChEBI] synonym: "[NH3+]CCCC[NH3+]" RELATED SMILES [ChEBI] synonym: "butane-1,4-bis(aminium)" EXACT IUPAC_NAME [IUPAC] synonym: "butane-1,4-diaminium" RELATED [IUPAC] synonym: "C4H14N2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2" RELATED InChI [ChEBI] synonym: "KIDHWZJUCRJVML-UHFFFAOYSA-P" RELATED InChIKey [ChEBI] synonym: "putrescine" RELATED [UniProt] synonym: "putrescinium dication" RELATED [ChEBI] synonym: "putrescinium(2+)" RELATED [ChEBI] xref: Gmelin:323413 "Gmelin" xref: MetaCyc:PUTRESCINE is_a: CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:17148 ! putrescine [Term] id: CHEBI:32627 name: leucinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "130.087" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "130.16502" RELATED MASS [ChEBI] synonym: "2-amino-4-methylpentanoate" RELATED [IUPAC] synonym: "C6H12NO2" RELATED FORMULA [ChEBI] synonym: "CC(C)CC(N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1" RELATED InChI [ChEBI] synonym: "leu(-)" RELATED [IUPAC] synonym: "leucinate" EXACT IUPAC_NAME [IUPAC] synonym: "leucine anion" RELATED [JCBN] synonym: "ROHFNLRQFUQHCH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Reaxys:5245805 "Reaxys" is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63471 ! branched-chain amino-acid anion relationship: is_conjugate_base_of CHEBI:25017 ! leucine [Term] id: CHEBI:32628 name: leucinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "1-carboxy-3-methylbutan-1-aminium" RELATED [IUPAC] synonym: "132.102" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.18090" RELATED MASS [ChEBI] synonym: "C6H14NO2" RELATED FORMULA [ChEBI] synonym: "CC(C)CC([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "H2leu(+)" RELATED [IUPAC] synonym: "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1" RELATED InChI [ChEBI] synonym: "leucine cation" RELATED [JCBN] synonym: "leucinium" EXACT IUPAC_NAME [IUPAC] synonym: "ROHFNLRQFUQHCH-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:1651836 "Gmelin" is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:25017 ! leucine [Term] id: CHEBI:32631 name: L-methioninate namespace: chebi_ontology def: "The L-enantiomer of methioninate." [] subset: 3_STAR synonym: "(2S)-2-amino-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "148.043" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.20444" RELATED MASS [ChEBI] synonym: "C5H10NO2S" RELATED FORMULA [ChEBI] synonym: "CSCC[C@H](N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "FFEARJCKVFRZRR-BYPYZUCNSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-methioninate" EXACT IUPAC_NAME [IUPAC] synonym: "L-methionine anion" RELATED [JCBN] xref: Beilstein:4740675 "Beilstein" xref: Gmelin:326566 "Gmelin" xref: Reaxys:4740675 "Reaxys" is_a: CHEBI:32644 ! methioninate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:16643 ! L-methionine relationship: is_enantiomer_of CHEBI:32637 ! D-methioninate [Term] id: CHEBI:32632 name: L-methioninium namespace: chebi_ontology def: "The L-enantiomer of methioninium." [] subset: 3_STAR synonym: "(1S)-1-carboxy-3-(methylsulfanyl)propan-1-aminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "150.059" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "150.22032" RELATED MASS [ChEBI] synonym: "C5H12NO2S" RELATED FORMULA [ChEBI] synonym: "CSCC[C@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "FFEARJCKVFRZRR-BYPYZUCNSA-O" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-methionine cation" RELATED [JCBN] synonym: "L-methioninium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1568767 "Gmelin" is_a: CHEBI:32646 ! methioninium relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:16643 ! L-methionine relationship: is_enantiomer_of CHEBI:32638 ! D-methioninium [Term] id: CHEBI:32637 name: D-methioninate namespace: chebi_ontology def: "The D-enantiomer of methioninate." [] subset: 3_STAR synonym: "(2R)-2-amino-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "148.043" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.20444" RELATED MASS [ChEBI] synonym: "C5H10NO2S" RELATED FORMULA [ChEBI] synonym: "CSCC[C@@H](N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "D-methioninate" EXACT IUPAC_NAME [IUPAC] synonym: "D-methionine anion" RELATED [JCBN] synonym: "FFEARJCKVFRZRR-SCSAIBSYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1/t4-/m1/s1" RELATED InChI [ChEBI] xref: Gmelin:720123 "Gmelin" is_a: CHEBI:32644 ! methioninate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:16867 ! D-methionine relationship: is_enantiomer_of CHEBI:32631 ! L-methioninate [Term] id: CHEBI:32638 name: D-methioninium namespace: chebi_ontology def: "The D-enantiomer of methioninium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-3-(methylsulfanyl)propan-1-aminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "150.059" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "150.22032" RELATED MASS [ChEBI] synonym: "C5H12NO2S" RELATED FORMULA [ChEBI] synonym: "CSCC[C@@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "D-methionine cation" RELATED [JCBN] synonym: "D-methioninium" EXACT IUPAC_NAME [IUPAC] synonym: "FFEARJCKVFRZRR-SCSAIBSYSA-O" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1/t4-/m1/s1" RELATED InChI [ChEBI] is_a: CHEBI:32646 ! methioninium relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:16867 ! D-methionine relationship: is_enantiomer_of CHEBI:32632 ! L-methioninium [Term] id: CHEBI:32644 name: methioninate namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "148.043" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.20444" RELATED MASS [ChEBI] synonym: "2-amino-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "C5H10NO2S" RELATED FORMULA [ChEBI] synonym: "CSCCC(N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "FFEARJCKVFRZRR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1" RELATED InChI [ChEBI] synonym: "met(-)" RELATED [IUPAC] synonym: "methioninate" EXACT IUPAC_NAME [IUPAC] synonym: "methionine anion" RELATED [JCBN] xref: Beilstein:3937270 "Beilstein" xref: Gmelin:326565 "Gmelin" xref: Reaxys:3937270 "Reaxys" is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63470 ! sulfur-containing amino-acid anion relationship: is_conjugate_base_of CHEBI:16811 ! methionine [Term] id: CHEBI:32646 name: methioninium namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "1-carboxy-3-(methylsulfanyl)propan-1-aminium" RELATED [IUPAC] synonym: "150.059" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "150.22032" RELATED MASS [ChEBI] synonym: "C5H12NO2S" RELATED FORMULA [ChEBI] synonym: "CSCCC([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "FFEARJCKVFRZRR-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "H2met(+)" RELATED [IUPAC] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1" RELATED InChI [ChEBI] synonym: "methionine cation" RELATED [JCBN] synonym: "methioninium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:326567 "Gmelin" is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:16811 ! methionine [Term] id: CHEBI:32650 name: L-asparaginate namespace: chebi_ontology def: "An optically active form of asparaginate having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,4-diamino-4-oxobutanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "131.046" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "131.11006" RELATED MASS [ChEBI] synonym: "C4H7N2O3" RELATED FORMULA [ChEBI] synonym: "DCXYFEDJOCDNAF-REOHCLBHSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-asparaginate" EXACT IUPAC_NAME [IUPAC] synonym: "L-asparagine anion" RELATED [JCBN] synonym: "N[C@@H](CC(N)=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:6115348 "Beilstein" xref: Gmelin:327371 "Gmelin" xref: HMDB:HMDB00168 xref: Reaxys:6115348 "Reaxys" is_a: CHEBI:32660 ! asparaginate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:17196 ! L-asparagine relationship: is_enantiomer_of CHEBI:32656 ! D-asparaginate [Term] id: CHEBI:32651 name: L-asparaginium namespace: chebi_ontology subset: 3_STAR synonym: "(1S)-3-amino-1-carboxy-3-oxopropan-1-aminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "133.061" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "133.12594" RELATED MASS [ChEBI] synonym: "C4H9N2O3" RELATED FORMULA [ChEBI] synonym: "DCXYFEDJOCDNAF-REOHCLBHSA-O" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-asparagine cation" RELATED [JCBN] synonym: "L-asparaginium" EXACT IUPAC_NAME [IUPAC] synonym: "NC(=O)C[C@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] is_a: CHEBI:32661 ! asparaginium relationship: is_conjugate_acid_of CHEBI:17196 ! L-asparagine relationship: is_enantiomer_of CHEBI:32657 ! D-asparaginium [Term] id: CHEBI:32656 name: D-asparaginate namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2,4-diamino-4-oxobutanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "131.046" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "131.11006" RELATED MASS [ChEBI] synonym: "C4H7N2O3" RELATED FORMULA [ChEBI] synonym: "D-asparaginate" EXACT IUPAC_NAME [IUPAC] synonym: "D-asparagine anion" RELATED [JCBN] synonym: "DCXYFEDJOCDNAF-UWTATZPHSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](CC(N)=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Gmelin:533547 "Gmelin" is_a: CHEBI:32660 ! asparaginate relationship: is_conjugate_base_of CHEBI:28159 ! D-asparagine relationship: is_enantiomer_of CHEBI:32650 ! L-asparaginate [Term] id: CHEBI:32657 name: D-asparaginium namespace: chebi_ontology subset: 3_STAR synonym: "(1R)-3-amino-1-carboxy-3-oxopropan-1-aminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "133.061" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "133.12594" RELATED MASS [ChEBI] synonym: "C4H9N2O3" RELATED FORMULA [ChEBI] synonym: "D-asparagine cation" RELATED [JCBN] synonym: "D-asparaginium" EXACT IUPAC_NAME [IUPAC] synonym: "DCXYFEDJOCDNAF-UWTATZPHSA-O" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "NC(=O)C[C@@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] is_a: CHEBI:32661 ! asparaginium relationship: is_conjugate_acid_of CHEBI:28159 ! D-asparagine relationship: is_enantiomer_of CHEBI:32651 ! L-asparaginium [Term] id: CHEBI:32660 name: asparaginate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of asparagine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "131.046" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "131.11006" RELATED MASS [ChEBI] synonym: "2,4-diamino-4-oxobutanoate" RELATED [IUPAC] synonym: "asp(-)" RELATED [IUPAC] synonym: "asparaginate" EXACT IUPAC_NAME [IUPAC] synonym: "asparagine anion" RELATED [JCBN] synonym: "C4H7N2O3" RELATED FORMULA [ChEBI] synonym: "DCXYFEDJOCDNAF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1" RELATED InChI [ChEBI] synonym: "NC(CC(N)=O)C([O-])=O" RELATED SMILES [ChEBI] xref: Gmelin:327370 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:22653 ! asparagine [Term] id: CHEBI:32661 name: asparaginium namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "133.061" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "133.12594" RELATED MASS [ChEBI] synonym: "3-amino-1-carboxy-3-oxopropan-1-aminium" RELATED [IUPAC] synonym: "asparagine cation" RELATED [JCBN] synonym: "asparaginium" EXACT IUPAC_NAME [IUPAC] synonym: "C4H9N2O3" RELATED FORMULA [ChEBI] synonym: "DCXYFEDJOCDNAF-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "H2asp(+)" RELATED [IUPAC] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1" RELATED InChI [ChEBI] synonym: "NC(=O)CC([NH3+])C(O)=O" RELATED SMILES [ChEBI] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:22653 ! asparagine [Term] id: CHEBI:32665 name: L-glutaminate namespace: chebi_ontology def: "An optically active form of glutaminate having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,5-diamino-5-oxopentanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "145.061" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "145.13664" RELATED MASS [ChEBI] synonym: "C5H9N2O3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-glutaminate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamine anion" RELATED [JCBN] synonym: "N[C@@H](CCC(N)=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-VKHMYHEASA-M" RELATED InChIKey [ChEBI] xref: Gmelin:327924 "Gmelin" is_a: CHEBI:32678 ! glutaminate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:18050 ! L-glutamine relationship: is_enantiomer_of CHEBI:32672 ! D-glutaminate [Term] id: CHEBI:32666 name: L-glutaminium namespace: chebi_ontology def: "An optically active form of glutaminium having L-configuration." [] subset: 3_STAR synonym: "(1S)-4-amino-1-carboxy-4-oxobutan-1-aminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "147.077" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.15252" RELATED MASS [ChEBI] synonym: "C5H11N2O3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-glutamine cation" RELATED [JCBN] synonym: "L-glutaminium" EXACT IUPAC_NAME [IUPAC] synonym: "NC(=O)CC[C@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-VKHMYHEASA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:32679 ! glutaminium relationship: is_conjugate_acid_of CHEBI:18050 ! L-glutamine relationship: is_enantiomer_of CHEBI:32673 ! D-glutaminium [Term] id: CHEBI:32672 name: D-glutaminate namespace: chebi_ontology def: "An optically active form of glutaminate having D-configuration." [] subset: 3_STAR synonym: "(2R)-2,5-diamino-5-oxopentanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "145.061" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "145.13664" RELATED MASS [ChEBI] synonym: "C5H9N2O3" RELATED FORMULA [ChEBI] synonym: "D-glutaminate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glutamine anion" RELATED [JCBN] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1/t3-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](CCC(N)=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-GSVOUGTGSA-M" RELATED InChIKey [ChEBI] xref: Gmelin:1342585 "Gmelin" is_a: CHEBI:32678 ! glutaminate relationship: is_conjugate_base_of CHEBI:17061 ! D-glutamine relationship: is_enantiomer_of CHEBI:32665 ! L-glutaminate [Term] id: CHEBI:32673 name: D-glutaminium namespace: chebi_ontology def: "An optically active form of glutaminium having D-configuration." [] subset: 3_STAR synonym: "(1R)-4-amino-1-carboxy-4-oxobutan-1-aminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "147.077" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.15252" RELATED MASS [ChEBI] synonym: "C5H11N2O3" RELATED FORMULA [ChEBI] synonym: "D-glutamine cation" RELATED [JCBN] synonym: "D-glutaminium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m1/s1" RELATED InChI [ChEBI] synonym: "NC(=O)CC[C@@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-GSVOUGTGSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:32679 ! glutaminium relationship: is_conjugate_acid_of CHEBI:17061 ! D-glutamine relationship: is_enantiomer_of CHEBI:32666 ! L-glutaminium [Term] id: CHEBI:32678 name: glutaminate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "145.061" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "145.13664" RELATED MASS [ChEBI] synonym: "2,5-diamino-5-oxopentanoate" RELATED [IUPAC] synonym: "C5H9N2O3" RELATED FORMULA [ChEBI] synonym: "gln(-)" RELATED [IUPAC] synonym: "glutaminate" EXACT IUPAC_NAME [IUPAC] synonym: "glutamine anion" RELATED [JCBN] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "NC(CCC(N)=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Gmelin:464703 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:28300 ! glutamine [Term] id: CHEBI:32679 name: glutaminium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of glutamine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "147.077" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.15252" RELATED MASS [ChEBI] synonym: "4-amino-1-carboxy-4-oxobutan-1-aminium" RELATED [IUPAC] synonym: "C5H11N2O3" RELATED FORMULA [ChEBI] synonym: "glutamine cation" RELATED [JCBN] synonym: "glutaminium" EXACT IUPAC_NAME [IUPAC] synonym: "H2gln(+)" RELATED [IUPAC] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1" RELATED InChI [ChEBI] synonym: "NC(=O)CCC([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:28300 ! glutamine [Term] id: CHEBI:32681 name: L-argininate namespace: chebi_ontology def: "An L-alpha-amino acid anion that is the conjugate base of L-arginine; obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2S)-2-amino-5-(carbamimidamido)pentanoate" RELATED [IUPAC] synonym: "(2S)-2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "173.104" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "173.19318" RELATED MASS [ChEBI] synonym: "C6H13N4O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-argininate" EXACT IUPAC_NAME [IUPAC] synonym: "L-arginine anion" RELATED [JCBN] synonym: "N[C@@H](CCCNC(N)=N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-BYPYZUCNSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4745004 "Beilstein" xref: Gmelin:329320 "Gmelin" is_a: CHEBI:32695 ! argininate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:16467 ! L-arginine relationship: is_enantiomer_of CHEBI:32688 ! D-argininate [Term] id: CHEBI:32682 name: L-argininium(1+) namespace: chebi_ontology alt_id: CHEBI:133495 def: "The L-enantiomer of argininium(1+)." [] subset: 3_STAR synonym: "(2S)-2-amino-5-(carbamimidamido)pentanoate" RELATED [ChEBI] synonym: "(2S)-2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "(2S)-2-ammonio-5-guanidiniopentanoate" RELATED [JCBN] synonym: "(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "175.120" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "175.20906" RELATED MASS [ChEBI] synonym: "arginine(1+)" RELATED [ChEBI] synonym: "C6H15N4O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-arginine" RELATED [ChEBI] synonym: "L-arginine" RELATED [UniProt] synonym: "L-arginine cation" RELATED [ChEBI] synonym: "L-arginine monocation" RELATED [JCBN] synonym: "L-argininium" EXACT IUPAC_NAME [IUPAC] synonym: "L-argininium(1+)" EXACT [JCBN] synonym: "NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-BYPYZUCNSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:1345601 "Gmelin" is_a: CHEBI:32696 ! argininium(1+) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16467 ! L-arginine relationship: is_conjugate_base_of CHEBI:32683 ! L-argininium(2+) relationship: is_enantiomer_of CHEBI:32689 ! D-argininium(1+) [Term] id: CHEBI:32683 name: L-argininium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "176.127" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "176.21700" RELATED MASS [ChEBI] synonym: "[(1S)-1-carboxy-4-guanidiniobutyl]ammonium" RELATED [ChEBI] synonym: "C6H16N4O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-arginine dication" RELATED [JCBN] synonym: "L-argininediium" EXACT IUPAC_NAME [IUPAC] synonym: "L-argininium(2+)" EXACT [JCBN] synonym: "NC(=[NH2+])NCCC[C@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-BYPYZUCNSA-P" RELATED InChIKey [ChEBI] xref: Beilstein:4745613 "Beilstein" is_a: CHEBI:32697 ! argininium(2+) relationship: is_conjugate_acid_of CHEBI:32682 ! L-argininium(1+) relationship: is_enantiomer_of CHEBI:32690 ! D-argininium(2+) [Term] id: CHEBI:32688 name: D-argininate namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2-amino-5-(carbamimidamido)pentanoate" RELATED [IUPAC] synonym: "(2R)-2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "173.104" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "173.19318" RELATED MASS [ChEBI] synonym: "C6H13N4O2" RELATED FORMULA [ChEBI] synonym: "D-argininate" EXACT IUPAC_NAME [IUPAC] synonym: "D-arginine anion" RELATED [JCBN] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](CCCNC(N)=N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-SCSAIBSYSA-M" RELATED InChIKey [ChEBI] is_a: CHEBI:32695 ! argininate relationship: is_conjugate_base_of CHEBI:15816 ! D-arginine relationship: is_enantiomer_of CHEBI:32681 ! L-argininate [Term] id: CHEBI:32689 name: D-argininium(1+) namespace: chebi_ontology def: "The D-enantiomer of argininium(1+)." [] subset: 3_STAR synonym: "(2R)-2-ammonio-5-guanidiniopentanoate" RELATED [JCBN] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "175.120" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "175.20906" RELATED MASS [ChEBI] synonym: "C6H15N4O2" RELATED FORMULA [ChEBI] synonym: "D-arginine" RELATED [UniProt] synonym: "D-arginine monocation" RELATED [JCBN] synonym: "D-argininium" EXACT IUPAC_NAME [IUPAC] synonym: "D-argininium(1+)" EXACT [JCBN] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1" RELATED InChI [ChEBI] synonym: "NC(=[NH2+])NCCC[C@@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-SCSAIBSYSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:1345600 "Gmelin" xref: MetaCyc:CPD-220 is_a: CHEBI:32696 ! argininium(1+) relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:15816 ! D-arginine relationship: is_conjugate_base_of CHEBI:32690 ! D-argininium(2+) relationship: is_enantiomer_of CHEBI:32682 ! L-argininium(1+) [Term] id: CHEBI:32690 name: D-argininium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "176.127" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "176.21700" RELATED MASS [ChEBI] synonym: "[(1R)-1-carboxy-4-guanidiniobutyl]ammonium" RELATED [ChEBI] synonym: "C6H16N4O2" RELATED FORMULA [ChEBI] synonym: "D-arginine dication" RELATED [JCBN] synonym: "D-argininediium" EXACT IUPAC_NAME [IUPAC] synonym: "D-argininium(2+)" EXACT [JCBN] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m1/s1" RELATED InChI [ChEBI] synonym: "NC(=[NH2+])NCCC[C@@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-SCSAIBSYSA-P" RELATED InChIKey [ChEBI] is_a: CHEBI:32697 ! argininium(2+) relationship: is_conjugate_acid_of CHEBI:32689 ! D-argininium(1+) relationship: is_enantiomer_of CHEBI:32683 ! L-argininium(2+) [Term] id: CHEBI:32695 name: argininate namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "173.104" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "173.19318" RELATED MASS [ChEBI] synonym: "2-amino-5-(carbamimidamido)pentanoate" RELATED [IUPAC] synonym: "2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "arg(-)" RELATED [IUPAC] synonym: "argininate" EXACT IUPAC_NAME [IUPAC] synonym: "arginine anion" RELATED [JCBN] synonym: "C6H13N4O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1" RELATED InChI [ChEBI] synonym: "NC(CCCNC(N)=N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Gmelin:603497 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:29016 ! arginine [Term] id: CHEBI:32696 name: argininium(1+) namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "175.120" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "175.20906" RELATED MASS [ChEBI] synonym: "2-ammonio-5-guanidiniopentanoate" RELATED [JCBN] synonym: "arginine" RELATED [UniProt] synonym: "arginine monocation" RELATED [JCBN] synonym: "argininium" EXACT IUPAC_NAME [IUPAC] synonym: "argininium(1+)" EXACT [JCBN] synonym: "C6H15N4O2" RELATED FORMULA [ChEBI] synonym: "H2arg(+)" RELATED [IUPAC] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1" RELATED InChI [ChEBI] synonym: "NC(=[NH2+])NCCCC([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Gmelin:1345599 "Gmelin" is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:29016 ! arginine relationship: is_conjugate_base_of CHEBI:32697 ! argininium(2+) [Term] id: CHEBI:32697 name: argininium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "(1-carboxy-4-guanidiniobutyl)ammonium" RELATED [ChEBI] synonym: "+2" RELATED CHARGE [ChEBI] synonym: "176.127" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "176.21700" RELATED MASS [ChEBI] synonym: "arginine dication" RELATED [JCBN] synonym: "argininediium" EXACT IUPAC_NAME [IUPAC] synonym: "argininium(2+)" EXACT [JCBN] synonym: "C6H16N4O2" RELATED FORMULA [ChEBI] synonym: "H3arg(2+)" RELATED [IUPAC] synonym: "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2" RELATED InChI [ChEBI] synonym: "NC(=[NH2+])NCCCC([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "ODKSFYDXXFIFQN-UHFFFAOYSA-P" RELATED InChIKey [ChEBI] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:32696 ! argininium(1+) [Term] id: CHEBI:32702 name: L-tryptophanate namespace: chebi_ontology def: "The L-enantiomer of tryptophanate." [] subset: 3_STAR synonym: "(2S)-2-amino-3-(1H-indol-3-yl)propanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "203.082" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "203.21732" RELATED MASS [ChEBI] synonym: "C11H11N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p-1/t9-/m0/s1" RELATED InChI [ChEBI] synonym: "L-tryptophan anion" RELATED [JCBN] synonym: "L-tryptophanate" EXACT IUPAC_NAME [IUPAC] synonym: "N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O" RELATED SMILES [ChEBI] synonym: "QIVBCDIJIAJPQS-VIFPVBQESA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4144998 "Beilstein" xref: Gmelin:331343 "Gmelin" is_a: CHEBI:32727 ! tryptophanate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:75767 ! animal metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:16828 ! L-tryptophan relationship: is_enantiomer_of CHEBI:32716 ! D-tryptophanate [Term] id: CHEBI:32704 name: L-tryptophanium namespace: chebi_ontology def: "The L-enantiomer of tryptophanium." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-(1H-indol-3-yl)ethanaminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "205.098" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "205.23320" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(O)=O" RELATED SMILES [ChEBI] synonym: "C11H13N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1/t9-/m0/s1" RELATED InChI [ChEBI] synonym: "L-tryptophan cation" RELATED [JCBN] synonym: "L-tryptophanium" EXACT IUPAC_NAME [IUPAC] synonym: "QIVBCDIJIAJPQS-VIFPVBQESA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:32728 ! tryptophanium relationship: has_role CHEBI:75767 ! animal metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:16828 ! L-tryptophan relationship: is_enantiomer_of CHEBI:32717 ! D-tryptophanium [Term] id: CHEBI:32716 name: D-tryptophanate namespace: chebi_ontology def: "The D-enantiomer of tryptophanate." [] subset: 3_STAR synonym: "(2R)-2-amino-3-(1H-indol-3-yl)propanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "203.082" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "203.21732" RELATED MASS [ChEBI] synonym: "C11H11N2O2" RELATED FORMULA [ChEBI] synonym: "D-tryptophan anion" RELATED [JCBN] synonym: "D-tryptophanate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p-1/t9-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H](Cc1c[nH]c2ccccc12)C([O-])=O" RELATED SMILES [ChEBI] synonym: "QIVBCDIJIAJPQS-SECBINFHSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:6847890 "Beilstein" xref: Gmelin:331344 "Gmelin" is_a: CHEBI:32727 ! tryptophanate relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_base_of CHEBI:16296 ! D-tryptophan relationship: is_enantiomer_of CHEBI:32702 ! L-tryptophanate [Term] id: CHEBI:32717 name: D-tryptophanium namespace: chebi_ontology def: "The D-enantiomer of tryptophanium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-(1H-indol-3-yl)ethanaminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "205.098" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "205.23320" RELATED MASS [ChEBI] synonym: "[NH3+][C@H](Cc1c[nH]c2ccccc12)C(O)=O" RELATED SMILES [ChEBI] synonym: "C11H13N2O2" RELATED FORMULA [ChEBI] synonym: "D-tryptophan cation" RELATED [JCBN] synonym: "D-tryptophanium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1/t9-/m1/s1" RELATED InChI [ChEBI] synonym: "QIVBCDIJIAJPQS-SECBINFHSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:32728 ! tryptophanium relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:16296 ! D-tryptophan relationship: is_enantiomer_of CHEBI:32704 ! L-tryptophanium [Term] id: CHEBI:32727 name: tryptophanate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of tryptophan, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-amino-3-(1H-indol-3-yl)propanoate" RELATED [IUPAC] synonym: "203.082" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "203.21732" RELATED MASS [ChEBI] synonym: "C11H11N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p-1" RELATED InChI [ChEBI] synonym: "NC(Cc1c[nH]c2ccccc12)C([O-])=O" RELATED SMILES [ChEBI] synonym: "QIVBCDIJIAJPQS-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "trp(-)" RELATED [IUPAC] synonym: "tryptophan anion" RELATED [JCBN] synonym: "tryptophanate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:4144997 "Beilstein" xref: Gmelin:331342 "Gmelin" xref: Reaxys:4144998 "Reaxys" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:27897 ! tryptophan [Term] id: CHEBI:32728 name: tryptophanium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of tryptophan, arising from protonation of the alpha-amino group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "1-carboxy-2-(1H-indol-3-yl)ethanaminium" RELATED [IUPAC] synonym: "205.098" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "205.23320" RELATED MASS [ChEBI] synonym: "[NH3+]C(Cc1c[nH]c2ccccc12)C(O)=O" RELATED SMILES [ChEBI] synonym: "C11H13N2O2" RELATED FORMULA [ChEBI] synonym: "Htrp(+)" RELATED [IUPAC] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1" RELATED InChI [ChEBI] synonym: "QIVBCDIJIAJPQS-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "tryptophan cation" RELATED [JCBN] synonym: "tryptophanium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:27897 ! tryptophan [Term] id: CHEBI:32784 name: tyrosinate(1-) namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "180.066" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "180.18064" RELATED MASS [ChEBI] synonym: "2-amino-3-(4-hydroxyphenyl)propanoate" RELATED [IUPAC] synonym: "C9H10NO3" RELATED FORMULA [ChEBI] synonym: "hydrogen tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1" RELATED InChI [ChEBI] synonym: "NC(Cc1ccc(O)cc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "OUYCCCASQSFEME-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "tyrosinate(1-)" EXACT [JCBN] synonym: "tyrosine anion" RELATED [JCBN] xref: Beilstein:3548387 "Beilstein" xref: Beilstein:4139515 "Beilstein" xref: Gmelin:329372 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_acid_of CHEBI:32785 ! tyrosinate(2-) relationship: is_conjugate_base_of CHEBI:18186 ! tyrosine [Term] id: CHEBI:32785 name: tyrosinate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "179.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "179.17270" RELATED MASS [ChEBI] synonym: "2-amino-3-(4-oxidophenyl)propanoate" RELATED [IUPAC] synonym: "C9H9NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2" RELATED InChI [ChEBI] synonym: "NC(Cc1ccc([O-])cc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "OUYCCCASQSFEME-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "tyrosinate(2-)" EXACT [JCBN] synonym: "tyrosine dianion" RELATED [JCBN] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:32784 ! tyrosinate(1-) [Term] id: CHEBI:32786 name: tyrosinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "1-carboxy-2-(4-hydroxyphenyl)ethanaminium" RELATED [IUPAC] synonym: "182.082" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "182.19652" RELATED MASS [ChEBI] synonym: "[NH3+]C(Cc1ccc(O)cc1)C(O)=O" RELATED SMILES [ChEBI] synonym: "C9H12NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1" RELATED InChI [ChEBI] synonym: "OUYCCCASQSFEME-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "tyrosine cation" RELATED [JCBN] synonym: "tyrosinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:18186 ! tyrosine [Term] id: CHEBI:327995 name: tyraminium namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of tyramine; major species at pH 7.3." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "138.092" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "138.18700" RELATED MASS [ChEBI] synonym: "2-(4-hydroxyphenyl)ethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "[NH3+]CCc1ccc(O)cc1" RELATED SMILES [ChEBI] synonym: "C8H12NO" RELATED FORMULA [ChEBI] synonym: "DZGWFCGJZKJUFP-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2/p+1" RELATED InChI [ChEBI] synonym: "tyramine" RELATED [UniProt] synonym: "tyraminium cation" RELATED [ChEBI] synonym: "tyraminium(1+)" RELATED [ChEBI] xref: MetaCyc:TYRAMINE is_a: CHEBI:25375 ! monoamine molecular messenger is_a: CHEBI:35274 ! ammonium ion relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:15760 ! tyramine [Term] id: CHEBI:32816 name: pyruvic acid namespace: chebi_ontology alt_id: CHEBI:26466 alt_id: CHEBI:45253 alt_id: CHEBI:8685 def: "A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-ketopropionic acid" RELATED [ChemIDplus] synonym: "2-Oxopropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2-oxopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxopropanoic acid" RELATED [ChEBI] synonym: "2-Oxopropansaeure" RELATED [ChemIDplus] synonym: "2-Oxopropionsaeure" RELATED [ChemIDplus] synonym: "88.016" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "88.06206" RELATED MASS [ChEBI] synonym: "Acetylformic acid" RELATED [HMDB] synonym: "acetylformic acid" RELATED [NIST_Chemistry_WebBook] synonym: "acide pyruvique" RELATED [ChEBI] synonym: "alpha-ketopropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Oxopropionsaeure" RELATED [ChemIDplus] synonym: "Brenztraubensaeure" RELATED [ChEBI] synonym: "BTS" RELATED [ChemIDplus] synonym: "C3H4O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "CH3COCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)" RELATED InChI [ChEBI] synonym: "LCTONWCANYUPML-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Pyroracemic acid" RELATED [KEGG_COMPOUND] synonym: "PYRUVIC ACID" EXACT [PDBeChem] synonym: "Pyruvic acid" EXACT [KEGG_COMPOUND] synonym: "pyruvic acid" EXACT [ChEBI] xref: Beilstein:506211 "Beilstein" xref: CAS:127-17-3 "ChemIDplus" xref: DrugBank:DB00119 xref: ECMDB:ECMDB00243 xref: Gmelin:101087 "Gmelin" xref: HMDB:HMDB00243 xref: KEGG:C00022 xref: KNApSAcK:C00001200 xref: LIPID_MAPS_instance:LMFA01060077 "LIPID MAPS" xref: MetaCyc:PYRUVATE xref: PDBeChem:PYR xref: PMID:11762589 "Europe PMC" xref: PMID:19260671 "Europe PMC" xref: PMID:22150460 "Europe PMC" xref: PMID:22233273 "Europe PMC" xref: PMID:22735334 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: Reaxys:506211 "Reaxys" xref: Wikipedia:Pyruvic_acid xref: YMDB:YMDB00175 is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:15361 ! pyruvate [Term] id: CHEBI:32820 name: L-threoninate namespace: chebi_ontology def: "An L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2S,3R)-2-amino-3-hydroxybutanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "118.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "118.11126" RELATED MASS [ChEBI] synonym: "AYFVYJQAPQTCCC-GBXIJSLDSA-M" RELATED InChIKey [ChEBI] synonym: "C4H8NO3" RELATED FORMULA [ChEBI] synonym: "C[C@@H](O)[C@H](N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m1/s1" RELATED InChI [ChEBI] synonym: "L-threoninate" EXACT IUPAC_NAME [IUPAC] synonym: "L-threonine anion" RELATED [JCBN] xref: Beilstein:4376295 "Beilstein" xref: Gmelin:464365 "Gmelin" xref: Reaxys:4376295 "Reaxys" is_a: CHEBI:32832 ! threoninate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:16857 ! L-threonine relationship: is_enantiomer_of CHEBI:32827 ! D-threoninate [Term] id: CHEBI:32822 name: L-threoninium namespace: chebi_ontology def: "The L-enantiomer of threoninium." [] subset: 3_STAR synonym: "(1S,2R)-1-carboxy-2-hydroxypropan-1-aminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "120.066" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.12714" RELATED MASS [ChEBI] synonym: "AYFVYJQAPQTCCC-GBXIJSLDSA-O" RELATED InChIKey [ChEBI] synonym: "C4H10NO3" RELATED FORMULA [ChEBI] synonym: "C[C@@H](O)[C@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m1/s1" RELATED InChI [ChEBI] synonym: "L-threonine cation" RELATED [JCBN] synonym: "L-threoninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32833 ! threoninium relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:16857 ! L-threonine relationship: is_enantiomer_of CHEBI:32828 ! D-threoninium [Term] id: CHEBI:32827 name: D-threoninate namespace: chebi_ontology def: "The D-enantiomer of threoninate." [] subset: 3_STAR synonym: "(2R,3S)-2-amino-3-hydroxybutanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "118.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "118.11126" RELATED MASS [ChEBI] synonym: "AYFVYJQAPQTCCC-STHAYSLISA-M" RELATED InChIKey [ChEBI] synonym: "C4H8NO3" RELATED FORMULA [ChEBI] synonym: "C[C@H](O)[C@@H](N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "D-threoninate" EXACT IUPAC_NAME [IUPAC] synonym: "D-threonine anion" RELATED [JCBN] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m0/s1" RELATED InChI [ChEBI] xref: Gmelin:1006174 "Gmelin" is_a: CHEBI:32832 ! threoninate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:16398 ! D-threonine relationship: is_enantiomer_of CHEBI:32820 ! L-threoninate [Term] id: CHEBI:32828 name: D-threoninium namespace: chebi_ontology def: "The D-enantiomer of threoninium." [] subset: 3_STAR synonym: "(1R,2S)-1-carboxy-2-hydroxypropan-1-aminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "120.066" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.12714" RELATED MASS [ChEBI] synonym: "AYFVYJQAPQTCCC-STHAYSLISA-O" RELATED InChIKey [ChEBI] synonym: "C4H10NO3" RELATED FORMULA [ChEBI] synonym: "C[C@H](O)[C@@H]([NH3+])C(O)=O" RELATED SMILES [ChEBI] synonym: "D-threonine cation" RELATED [JCBN] synonym: "D-threoninium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m0/s1" RELATED InChI [ChEBI] is_a: CHEBI:32833 ! threoninium relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_acid_of CHEBI:16398 ! D-threonine relationship: is_enantiomer_of CHEBI:32822 ! L-threoninium [Term] id: CHEBI:32832 name: threoninate namespace: chebi_ontology subset: 3_STAR synonym: "C4H8NO3" RELATED FORMULA [ChEBI] synonym: "rel-(2R,3S)-2-amino-3-hydroxybutanoate" RELATED [IUPAC] synonym: "threoninate" EXACT IUPAC_NAME [IUPAC] synonym: "threonine anion" RELATED [JCBN] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:26986 ! threonine [Term] id: CHEBI:32833 name: threoninium namespace: chebi_ontology subset: 3_STAR synonym: "C4H10NO3" RELATED FORMULA [ChEBI] synonym: "rel-(1R,2S)-1-carboxy-2-hydroxypropan-1-aminium" RELATED [IUPAC] synonym: "threonine cation" RELATED [JCBN] synonym: "threoninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:26986 ! threonine [Term] id: CHEBI:32836 name: L-serinate namespace: chebi_ontology def: "A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2S)-2-amino-3-hydroxypropanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "104.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "104.08468" RELATED MASS [ChEBI] synonym: "C3H6NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-serinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-serine anion" RELATED [JCBN] synonym: "MTCFGRXMJLQNBG-REOHCLBHSA-M" RELATED InChIKey [ChEBI] synonym: "N[C@@H](CO)C([O-])=O" RELATED SMILES [ChEBI] xref: Beilstein:4372751 "Beilstein" xref: Gmelin:324693 "Gmelin" is_a: CHEBI:32845 ! serinate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:17115 ! L-serine relationship: is_enantiomer_of CHEBI:32840 ! D-serinate [Term] id: CHEBI:32837 name: L-serinium namespace: chebi_ontology def: "A serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-hydroxyethanaminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "106.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "106.10056" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H](CO)C(O)=O" RELATED SMILES [ChEBI] synonym: "C3H8NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-serine cation" RELATED [JCBN] synonym: "L-serinium" EXACT IUPAC_NAME [IUPAC] synonym: "MTCFGRXMJLQNBG-REOHCLBHSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:32846 ! serinium relationship: is_conjugate_acid_of CHEBI:17115 ! L-serine relationship: is_enantiomer_of CHEBI:32841 ! D-serinium [Term] id: CHEBI:32840 name: D-serinate namespace: chebi_ontology def: "The D-enantiomer of serinate." [] subset: 3_STAR synonym: "(2R)-2-amino-3-hydroxypropanoate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "104.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "104.08468" RELATED MASS [ChEBI] synonym: "C3H6NO3" RELATED FORMULA [ChEBI] synonym: "D-serinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-serine anion" RELATED [JCBN] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "MTCFGRXMJLQNBG-UWTATZPHSA-M" RELATED InChIKey [ChEBI] synonym: "N[C@H](CO)C([O-])=O" RELATED SMILES [ChEBI] xref: Gmelin:745975 "Gmelin" is_a: CHEBI:32845 ! serinate relationship: is_conjugate_base_of CHEBI:16523 ! D-serine relationship: is_enantiomer_of CHEBI:32836 ! L-serinate [Term] id: CHEBI:32841 name: D-serinium namespace: chebi_ontology def: "The D-enantiomer of serinium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-hydroxyethanaminium" RELATED [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "106.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "106.10056" RELATED MASS [ChEBI] synonym: "[NH3+][C@H](CO)C(O)=O" RELATED SMILES [ChEBI] synonym: "C3H8NO3" RELATED FORMULA [ChEBI] synonym: "D-serine cation" RELATED [JCBN] synonym: "D-serinium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "MTCFGRXMJLQNBG-UWTATZPHSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:32846 ! serinium relationship: is_conjugate_acid_of CHEBI:16523 ! D-serine relationship: is_enantiomer_of CHEBI:32837 ! L-serinium [Term] id: CHEBI:32845 name: serinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of serine." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "104.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "104.08468" RELATED MASS [ChEBI] synonym: "2-amino-3-hydroxypropanoate" RELATED [IUPAC] synonym: "C3H6NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1" RELATED InChI [ChEBI] synonym: "MTCFGRXMJLQNBG-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "NC(CO)C([O-])=O" RELATED SMILES [ChEBI] synonym: "serinate" EXACT IUPAC_NAME [IUPAC] synonym: "serine anion" RELATED [JCBN] xref: Gmelin:324692 "Gmelin" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:17822 ! serine [Term] id: CHEBI:32846 name: serinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of serine." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "1-carboxy-2-hydroxyethanaminium" RELATED [IUPAC] synonym: "106.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "106.10056" RELATED MASS [ChEBI] synonym: "[NH3+]C(CO)C(O)=O" RELATED SMILES [ChEBI] synonym: "C3H8NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1" RELATED InChI [ChEBI] synonym: "MTCFGRXMJLQNBG-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "serine cation" RELATED [JCBN] synonym: "serinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1925675 "Gmelin" is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:17822 ! serine [Term] id: CHEBI:32871 name: prolinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "114.056" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "114.12256" RELATED MASS [ChEBI] synonym: "[O-]C(=O)C1CCCN1" RELATED SMILES [ChEBI] synonym: "C5H8NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1" RELATED InChI [ChEBI] synonym: "ONIBWKKTOPOVIA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "pro(-)" RELATED [IUPAC] synonym: "prolinate" EXACT IUPAC_NAME [IUPAC] synonym: "proline anion" RELATED [JCBN] synonym: "pyrrolidine-2-carboxylate" RELATED [IUPAC] xref: Beilstein:5387795 "Beilstein" xref: Gmelin:50151 "Gmelin" xref: Reaxys:5387795 "Reaxys" is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:26271 ! proline [Term] id: CHEBI:32872 name: prolinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "116.071" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "116.13840" RELATED MASS [ChEBI] synonym: "2-carboxypyrrolidinium" RELATED [IUPAC] synonym: "C5H10NO2" RELATED FORMULA [ChEBI] synonym: "H2pro(+)" RELATED [IUPAC] synonym: "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1" RELATED InChI [ChEBI] synonym: "OC(=O)C1CCC[NH2+]1" RELATED SMILES [ChEBI] synonym: "ONIBWKKTOPOVIA-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "proline cation" RELATED [JCBN] synonym: "prolinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:26271 ! proline [Term] id: CHEBI:32875 name: methyl group namespace: chebi_ontology alt_id: CHEBI:2449 alt_id: CHEBI:25251 alt_id: CHEBI:25252 alt_id: CHEBI:48801 def: "An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom." [] subset: 3_STAR synonym: "-CH3" RELATED [IUPAC] synonym: "-Me" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "15.023" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "15.03452" RELATED MASS [ChEBI] synonym: "alanine side-chain" RELATED [ChEBI] synonym: "CH3" RELATED FORMULA [ChEBI] synonym: "CH3-" RELATED [IUPAC] synonym: "group methyle" RELATED [ChEBI] synonym: "grupo metilo" RELATED [ChEBI] synonym: "methyl" EXACT IUPAC_NAME [IUPAC] synonym: "METHYL GROUP" EXACT [PDBeChem] synonym: "methyl group" EXACT [UniProt] synonym: "Methylgruppe" RELATED [ChEBI] is_a: CHEBI:22323 ! alkyl group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_substituent_group_from CHEBI:16183 ! methane [Term] id: CHEBI:32876 name: tertiary amine namespace: chebi_ontology alt_id: CHEBI:26879 alt_id: CHEBI:9458 def: "A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "14.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "14.00670" RELATED MASS [ChEBI] synonym: "[*]N([*])[*]" RELATED SMILES [ChEBI] synonym: "NR3" RELATED FORMULA [ChEBI] synonym: "R3N" RELATED [IUPAC] synonym: "tertiaeres Amin" RELATED [ChEBI] synonym: "Tertiary amine" EXACT [KEGG_COMPOUND] synonym: "tertiary amines" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02196 is_a: CHEBI:32952 ! amine is_a: CHEBI:50996 ! tertiary amino compound relationship: is_conjugate_base_of CHEBI:137982 ! tertiary amine(1+) [Term] id: CHEBI:32877 name: primary amine namespace: chebi_ontology alt_id: CHEBI:26263 alt_id: CHEBI:26265 alt_id: CHEBI:8407 alt_id: CHEBI:8409 def: "A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "16.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "16.02260" RELATED MASS [ChEBI] synonym: "H2NR" RELATED FORMULA [ChEBI] synonym: "N[*]" RELATED SMILES [ChEBI] synonym: "primaeres Amin" RELATED [ChEBI] synonym: "Primary amine" EXACT [KEGG_COMPOUND] synonym: "primary amines" EXACT IUPAC_NAME [IUPAC] synonym: "Primary monoamine" RELATED [KEGG_COMPOUND] synonym: "R-NH2" RELATED [IUPAC] synonym: "RCH2NH2" RELATED [KEGG_COMPOUND] xref: KEGG:C00375 xref: KEGG:C00893 xref: KEGG:C02580 is_a: CHEBI:32952 ! amine is_a: CHEBI:50994 ! primary amino compound relationship: is_conjugate_base_of CHEBI:65296 ! primary ammonium ion [Term] id: CHEBI:32952 name: amine namespace: chebi_ontology alt_id: CHEBI:13814 alt_id: CHEBI:22474 alt_id: CHEBI:2641 def: "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups." [] subset: 3_STAR synonym: "Amin" RELATED [ChEBI] synonym: "Amine" EXACT [KEGG_COMPOUND] synonym: "amines" EXACT IUPAC_NAME [IUPAC] synonym: "Substituted amine" RELATED [KEGG_COMPOUND] xref: KEGG:C00706 is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:32954 name: sodium acetate namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "82.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "82.03379" RELATED MASS [ChEBI] synonym: "[Na+].CC([O-])=O" RELATED SMILES [ChEBI] synonym: "acetic acid, sodium salt" RELATED [ChemIDplus] synonym: "anhydrous sodium acetate" RELATED [ChemIDplus] synonym: "C2H3NaO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1" RELATED InChI [ChEBI] synonym: "Natriumazetat" RELATED [ChEBI] synonym: "sodium acetate" EXACT IUPAC_NAME [IUPAC] synonym: "sodium acetate anhydrous" RELATED [ChemIDplus] synonym: "VMHLLURERBWHNL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3595639 "Beilstein" xref: CAS:127-09-3 "ChemIDplus" xref: Gmelin:20502 "Gmelin" xref: Wikipedia:Sodium_Acetate is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:30089 ! acetate [Term] id: CHEBI:32988 name: amide namespace: chebi_ontology alt_id: CHEBI:22473 alt_id: CHEBI:2633 def: "An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group." [] subset: 3_STAR synonym: "Amide" EXACT [KEGG_COMPOUND] synonym: "amides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00241 is_a: CHEBI:51143 ! nitrogen molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33186 name: malononitrile namespace: chebi_ontology def: "A dinitrile that is methane subtituted by two cyano groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "66.022" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "66.06140" RELATED MASS [ChEBI] synonym: "C3H2N2" RELATED FORMULA [ChEBI] synonym: "CUONGYYJJVDODC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "dicyanmethane" RELATED [ChemIDplus] synonym: "dicyanomethane" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2" RELATED InChI [ChEBI] synonym: "malononitrile" EXACT IUPAC_NAME [IUPAC] synonym: "Malonsaeuredinitril" RELATED [ChEBI] synonym: "N#CCC#N" RELATED SMILES [ChEBI] synonym: "propanedinitrile" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:773697 "Beilstein" xref: CAS:109-77-3 "NIST Chemistry WebBook" xref: Gmelin:1303 "Gmelin" xref: PMID:24683341 "Europe PMC" xref: Reaxys:773697 "Reaxys" xref: Wikipedia:Malononitrile is_a: CHEBI:51308 ! dinitrile is_a: CHEBI:80291 ! aliphatic nitrile [Term] id: CHEBI:33187 name: oxomalononitrile namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "80.001" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "80.04498" RELATED MASS [ChEBI] synonym: "C3N2O" RELATED FORMULA [ChEBI] synonym: "carbonyl dicyanide" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3N2O/c4-1-3(6)2-5" RELATED InChI [ChEBI] synonym: "JSGHQDAEHDRLOI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "mesoxalonitrile" RELATED [ChemIDplus] synonym: "NC-CO-CN" RELATED [IUPAC] synonym: "O=C(C#N)C#N" RELATED SMILES [ChEBI] synonym: "oxomalononitrile" EXACT [IUPAC] synonym: "oxopropanedinitrile" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1699394 "Beilstein" xref: CAS:1115-12-4 "NIST Chemistry WebBook" xref: Gmelin:217598 "Gmelin" is_a: CHEBI:51852 ! alpha-ketonitrile relationship: has_functional_parent CHEBI:33186 ! malononitrile [Term] id: CHEBI:33189 name: hydrazonomalononitrile namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "94.028" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "94.07494" RELATED MASS [ChEBI] synonym: "C3H2N4" RELATED FORMULA [ChEBI] synonym: "carbonohydrazonoyl dicyanide" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C3H2N4/c4-1-3(2-5)7-6/h6H2" RELATED InChI [ChEBI] synonym: "NC-C(=NNH2)-CN" RELATED [IUPAC] synonym: "NN=C(C#N)C#N" RELATED SMILES [ChEBI] synonym: "NYVGCXQGEYONIC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1903731 "Beilstein" is_a: CHEBI:18379 ! nitrile is_a: CHEBI:38532 ! hydrazone relationship: has_functional_parent CHEBI:33187 ! oxomalononitrile [Term] id: CHEBI:33191 name: potassium cyanide namespace: chebi_ontology def: "A cyanide salt containing equal numbers of potassium cations and cyanide anions." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "64.967" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "65.116" RELATED MASS [ChEBI] synonym: "[C-]#N.[K+]" RELATED SMILES [ChEBI] synonym: "CKN" RELATED FORMULA [ChEBI] synonym: "cyanide of potassium" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/CN.K/c1-2;/q-1;+1" RELATED InChI [ChEBI] synonym: "Kaliumcyanid" RELATED [ChEBI] synonym: "Kaliumzyanid" RELATED [ChEBI] synonym: "KCN" RELATED [IUPAC] synonym: "NNFCIKHAZHQZJG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "potassium cyanide" EXACT IUPAC_NAME [IUPAC] synonym: "Zyankali" RELATED [ChEBI] xref: Beilstein:3593645 "Beilstein" xref: Beilstein:4652394 "ChemIDplus" xref: CAS:151-50-8 "NIST Chemistry WebBook" xref: colombos:KCN xref: Gmelin:647425 "Gmelin" xref: PMID:16850258 "Europe PMC" xref: PMID:24318282 "Europe PMC" xref: PMID:25850896 "Europe PMC" xref: PMID:27170681 "Europe PMC" xref: PMID:27170682 "Europe PMC" xref: PMID:27250664 "Europe PMC" xref: PMID:27666790 "Europe PMC" xref: PMID:27737792 "Europe PMC" xref: Wikipedia:Potassium_cyanide is_a: CHEBI:26218 ! potassium salt is_a: CHEBI:36572 ! cyanide salt is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:134084 ! EC 1.15.1.1 (superoxide dismutase) inhibitor relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor relationship: has_role CHEBI:50910 ! neurotoxin [Term] id: CHEBI:33198 name: D-gluconic acid namespace: chebi_ontology alt_id: CHEBI:20986 alt_id: CHEBI:4157 alt_id: CHEBI:42715 def: "A gluconic acid having D-configuration." [] subset: 3_STAR synonym: "(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid" RELATED [HMDB] synonym: "0" RELATED CHARGE [ChEBI] synonym: "196.058" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "196.15528" RELATED MASS [ChEBI] synonym: "C6H12O7" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-gluco-Hexonic acid" RELATED [KEGG_COMPOUND] synonym: "D-Gluconic acid" EXACT [KEGG_COMPOUND] synonym: "D-gluconic acid" EXACT IUPAC_NAME [IUPAC] synonym: "D-Gluconsaeure" RELATED [ChEBI] synonym: "D-Glukonsaeure" RELATED [ChEBI] synonym: "Dextronic acid" RELATED [ChemIDplus] synonym: "GLUCONIC ACID" RELATED [PDBeChem] synonym: "Gluconic acid" RELATED [ChemIDplus] synonym: "Glycogenic acid" RELATED [HMDB] synonym: "Hexonic acid" RELATED [HMDB] synonym: "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1" RELATED InChI [ChEBI] synonym: "Maltonic acid" RELATED [HMDB] synonym: "OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "RGHNJXZEOKUKBD-SQOUGZDYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1726055 "Beilstein" xref: CAS:526-95-4 "KEGG COMPOUND" xref: Drug_Central:3264 "DrugCentral" xref: Gmelin:83545 "Gmelin" xref: HMDB:HMDB00625 xref: KEGG:C00257 xref: KNApSAcK:C00007303 xref: MetaCyc:GLUCONATE xref: PDBeChem:GCO xref: PMID:11777404 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:19577953 "Europe PMC" xref: PMID:20222845 "Europe PMC" xref: PMID:21086198 "Europe PMC" xref: PMID:21424687 "Europe PMC" xref: PMID:21819772 "Europe PMC" xref: PMID:22352719 "Europe PMC" xref: PMID:22541639 "Europe PMC" xref: PMID:22688246 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: PMID:24024763 "Europe PMC" xref: Reaxys:1726055 "Reaxys" xref: Wikipedia:Gluconic_acid is_a: CHEBI:24266 ! gluconic acid relationship: has_role CHEBI:38161 ! chelator relationship: has_role CHEBI:76964 ! Penicillium metabolite relationship: is_conjugate_acid_of CHEBI:18391 ! D-gluconate relationship: is_enantiomer_of CHEBI:86359 ! L-gluconic acid [Term] id: CHEBI:33229 name: vitamin namespace: chebi_ontology alt_id: CHEBI:10004 alt_id: CHEBI:27305 def: "An organic substance that is distributed in foodstuffs, is distinct from the main organic components of food (protein, carbohydrate and fat) and is needed for the normal nutrition of the organism in question. The term \"vitamines\" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines." [] subset: 3_STAR synonym: "Vitamin" EXACT [ChEBI] synonym: "vitamina" RELATED [ChEBI] synonym: "vitaminas" RELATED [ChEBI] synonym: "vitamine" RELATED [ChEBI] synonym: "vitamines" RELATED [ChEBI] synonym: "vitamins" RELATED [ChEBI] synonym: "vitaminum" RELATED [ChEBI] is_a: CHEBI:78295 ! food component [Term] id: CHEBI:33231 name: antitubercular agent namespace: chebi_ontology def: "A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis." [] subset: 3_STAR synonym: "antitubercular" RELATED [ChEBI] synonym: "antitubercular agents" RELATED [ChEBI] synonym: "antitubercular drug" RELATED [ChEBI] synonym: "antitubercular drugs" RELATED [ChEBI] synonym: "tuberculostatic agent" RELATED [ChEBI] is_a: CHEBI:64912 ! antimycobacterial drug [Term] id: CHEBI:33232 name: application namespace: chebi_ontology def: "Intended use of the molecular entity or part thereof by humans." [] subset: 3_STAR is_a: CHEBI:50906 ! role [Term] id: CHEBI:33233 name: fundamental particle namespace: chebi_ontology def: "A particle not known to have substructure." [] subset: 3_STAR synonym: "elementary particle" EXACT IUPAC_NAME [IUPAC] synonym: "elementary particles" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:33238 name: monoatomic entity namespace: chebi_ontology def: "A monoatomic entity is a molecular entity consisting of a single atom." [] subset: 3_STAR synonym: "atomic entity" RELATED [ChEBI] synonym: "monoatomic entities" RELATED [ChEBI] is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33240 name: coordination entity namespace: chebi_ontology def: "An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands)." [] subset: 3_STAR synonym: "coordination compounds" RELATED [ChEBI] synonym: "coordination entities" EXACT IUPAC_NAME [IUPAC] synonym: "coordination entity" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:33241 name: oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "oxoacid derivatives" RELATED [ChEBI] is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_functional_parent CHEBI:24833 ! oxoacid [Term] id: CHEBI:33242 name: inorganic hydride namespace: chebi_ontology subset: 3_STAR synonym: "inorganic hydrides" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33692 ! hydrides [Term] id: CHEBI:33245 name: organic fundamental parent namespace: chebi_ontology def: "An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system." [] subset: 3_STAR synonym: "organic fundamental parents" RELATED [ChEBI] synonym: "organic parent hydrides" RELATED [ChEBI] is_a: CHEBI:37175 ! organic hydride is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33246 name: inorganic group namespace: chebi_ontology def: "Any substituent group which does not contain carbon." [] subset: 3_STAR synonym: "inorganic groups" RELATED [ChEBI] is_a: CHEBI:24433 ! group [Term] id: CHEBI:33247 name: organic group namespace: chebi_ontology def: "Any substituent group or skeleton containing carbon." [] subset: 3_STAR synonym: "organic groups" RELATED [ChEBI] is_a: CHEBI:24433 ! group relationship: is_substituent_group_from CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33248 name: hydrocarbyl group namespace: chebi_ontology def: "A univalent group formed by removing a hydrogen atom from a hydrocarbon." [] subset: 3_STAR synonym: "groupe hydrocarbyle" RELATED [IUPAC] synonym: "grupo hidrocarbilo" RELATED [IUPAC] synonym: "grupos hidrocarbilo" RELATED [IUPAC] synonym: "hydrocarbyl group" EXACT [IUPAC] synonym: "hydrocarbyl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33249 ! organyl group relationship: is_substituent_group_from CHEBI:24632 ! hydrocarbon [Term] id: CHEBI:33249 name: organyl group namespace: chebi_ontology def: "Any organic substituent group, regardless of functional type, having one free valence at a carbon atom." [] subset: 3_STAR synonym: "groupe organyle" RELATED [IUPAC] synonym: "grupo organilo" RELATED [IUPAC] synonym: "grupos organilo" RELATED [IUPAC] synonym: "organyl group" EXACT IUPAC_NAME [IUPAC] synonym: "organyl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51447 ! organic univalent group [Term] id: CHEBI:33250 name: atom namespace: chebi_ontology alt_id: CHEBI:22671 alt_id: CHEBI:23907 def: "A chemical entity constituting the smallest component of an element having the chemical properties of the element." [] subset: 3_STAR synonym: "atom" EXACT IUPAC_NAME [IUPAC] synonym: "atome" RELATED [IUPAC] synonym: "atomo" RELATED [IUPAC] synonym: "atoms" RELATED [ChEBI] synonym: "atomus" RELATED [ChEBI] synonym: "element" RELATED [ChEBI] synonym: "elements" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity relationship: has_part CHEBI:10545 ! electron relationship: has_part CHEBI:33252 ! atomic nucleus [Term] id: CHEBI:33252 name: atomic nucleus namespace: chebi_ontology def: "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons." [] subset: 3_STAR synonym: "Atomkern" RELATED [ChEBI] synonym: "Kern" RELATED [ChEBI] synonym: "noyau" RELATED [IUPAC] synonym: "noyau atomique" RELATED [ChEBI] synonym: "nuclei" RELATED [ChEBI] synonym: "nucleo" RELATED [IUPAC] synonym: "nucleo atomico" RELATED [ChEBI] synonym: "nucleus" EXACT IUPAC_NAME [IUPAC] synonym: "nucleus atomi" RELATED [ChEBI] is_a: CHEBI:36347 ! nuclear particle relationship: has_part CHEBI:33253 ! nucleon [Term] id: CHEBI:33253 name: nucleon namespace: chebi_ontology def: "Heavy nuclear particle: proton or neutron." [] subset: 3_STAR synonym: "nucleon" EXACT [IUPAC] synonym: "nucleon" EXACT IUPAC_NAME [IUPAC] synonym: "nucleons" RELATED [ChEBI] synonym: "Nukleon" RELATED [ChEBI] synonym: "Nukleonen" RELATED [ChEBI] is_a: CHEBI:36339 ! baryon is_a: CHEBI:36347 ! nuclear particle [Term] id: CHEBI:33256 name: primary amide namespace: chebi_ontology def: "A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group." [] subset: 3_STAR synonym: "primary amide" EXACT [IUPAC] synonym: "primary amides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32988 ! amide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33257 name: secondary amide namespace: chebi_ontology def: "A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group." [] subset: 3_STAR synonym: "secondary amide" EXACT IUPAC_NAME [IUPAC] synonym: "secondary amides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32988 ! amide [Term] id: CHEBI:33259 name: elemental molecular entity namespace: chebi_ontology def: "A molecular entity all atoms of which have the same atomic number." [] subset: 3_STAR synonym: "homoatomic entity" RELATED [ChEBI] synonym: "homoatomic molecular entities" RELATED [ChEBI] synonym: "homoatomic molecular entity" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:33261 name: organosulfur compound namespace: chebi_ontology alt_id: CHEBI:23010 alt_id: CHEBI:25714 def: "An organosulfur compound is a compound containing at least one carbon-sulfur bond." [] subset: 3_STAR synonym: "organosulfur compound" EXACT [ChEBI] synonym: "organosulfur compounds" RELATED [ChEBI] xref: Wikipedia:Organosulfur_compounds is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:36962 ! organochalcogen compound [Term] id: CHEBI:33262 name: elemental oxygen namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33263 name: diatomic oxygen namespace: chebi_ontology subset: 3_STAR synonym: "O2" RELATED FORMULA [ChEBI] is_a: CHEBI:33262 ! elemental oxygen [Term] id: CHEBI:33273 name: polyatomic anion namespace: chebi_ontology def: "An anion consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:36358 ! polyatomic ion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33280 name: molecular messenger namespace: chebi_ontology subset: 3_STAR synonym: "chemical messenger" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:33281 name: antimicrobial agent namespace: chebi_ontology alt_id: CHEBI:22582 def: "A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans." [] subset: 3_STAR synonym: "antibiotic" RELATED [ChEBI] synonym: "antibiotics" RELATED [ChEBI] synonym: "Antibiotika" RELATED [ChEBI] synonym: "Antibiotikum" RELATED [ChEBI] synonym: "antibiotique" RELATED [IUPAC] synonym: "antimicrobial" RELATED [ChEBI] synonym: "antimicrobial agents" RELATED [ChEBI] synonym: "antimicrobials" RELATED [ChEBI] synonym: "microbicide" RELATED [ChEBI] synonym: "microbicides" RELATED [ChEBI] xref: PMID:12964249 "Europe PMC" xref: PMID:22117953 "Europe PMC" xref: PMID:22439833 "Europe PMC" xref: PMID:22849268 "Europe PMC" xref: PMID:22849276 "Europe PMC" xref: PMID:22958833 "Europe PMC" is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:33282 name: antibacterial agent namespace: chebi_ontology def: "A substance that kills or slows the growth of bacteria." [] subset: 3_STAR synonym: "antibacterial agents" RELATED [ChEBI] synonym: "antibacterials" RELATED [ChEBI] synonym: "bactericide" RELATED [ChEBI] synonym: "bactericides" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:33284 name: nutrient namespace: chebi_ontology def: "A nutrient is a chemical element needed by all life forms." [] subset: 3_STAR synonym: "nutrients" RELATED [ChEBI] is_a: CHEBI:78295 ! food component [Term] id: CHEBI:33285 name: heteroorganic entity namespace: chebi_ontology def: "A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms." [] subset: 3_STAR synonym: "heteroorganic entities" RELATED [ChEBI] synonym: "organoelement compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33286 name: agrochemical namespace: chebi_ontology def: "An agrochemical is a substance that is used in agriculture or horticulture." [] subset: 3_STAR synonym: "agrichemical" RELATED [ChEBI] synonym: "agrichemicals" RELATED [ChEBI] synonym: "agricultural chemicals" RELATED [ChEBI] synonym: "agrochemicals" RELATED [ChEBI] xref: Wikipedia:Agrochemical is_a: CHEBI:33232 ! application [Term] id: CHEBI:33287 name: fertilizer namespace: chebi_ontology def: "A fertilizer is any substance that is added to soil or water to assist the growth of plants." [] subset: 3_STAR synonym: "fertiliser" RELATED [ChEBI] synonym: "fertilizers" RELATED [ChEBI] is_a: CHEBI:33286 ! agrochemical [Term] id: CHEBI:33288 name: rodenticide namespace: chebi_ontology def: "A substance used to destroy rodent pests." [] subset: 3_STAR synonym: "rodenticides" RELATED [ChEBI] xref: Wikipedia:Rodenticide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:33292 name: fuel namespace: chebi_ontology def: "An energy-rich substance that can be transformed with release of usable energy." [] subset: 3_STAR is_a: CHEBI:33232 ! application [Term] id: CHEBI:33295 name: diagnostic agent namespace: chebi_ontology def: "A substance administered to aid diagnosis of a disease." [] subset: 3_STAR synonym: "diagnostic aid" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:33296 name: alkali metal molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms of an alkali metal." [] subset: 3_STAR synonym: "alkali metal molecular entities" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:22314 ! alkali metal atom [Term] id: CHEBI:33299 name: alkaline earth molecular entity namespace: chebi_ontology def: "An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal." [] subset: 3_STAR synonym: "alkaline earth compounds" RELATED [ChEBI] synonym: "alkaline earth molecular entities" RELATED [ChEBI] synonym: "alkaline earth molecular entity" EXACT [ChEBI] synonym: "alkaline-earth compounds" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:22313 ! alkaline earth metal atom [Term] id: CHEBI:33300 name: pnictogen namespace: chebi_ontology def: "Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth." [] subset: 3_STAR synonym: "group 15 elements" RELATED [ChEBI] synonym: "group V elements" RELATED [ChEBI] synonym: "nitrogenoideos" RELATED [ChEBI] synonym: "nitrogenoides" RELATED [ChEBI] synonym: "pnictogene" RELATED [ChEBI] synonym: "pnictogenes" RELATED [ChEBI] synonym: "pnictogens" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33302 name: pnictogen molecular entity namespace: chebi_ontology def: "A p-block molecular entity containing any pnictogen." [] subset: 3_STAR synonym: "pnictogen molecular entities" RELATED [ChEBI] synonym: "pnictogen molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33300 ! pnictogen property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33303 name: chalcogen namespace: chebi_ontology def: "Any p-block element belonging to the group 16 family of the periodic table." [] subset: 3_STAR synonym: "anfigeno" RELATED [ChEBI] synonym: "anfigenos" RELATED [ChEBI] synonym: "calcogeno" RELATED [ChEBI] synonym: "calcogenos" RELATED [ChEBI] synonym: "chalcogen" EXACT IUPAC_NAME [IUPAC] synonym: "chalcogene" RELATED [ChEBI] synonym: "chalcogenes" RELATED [ChEBI] synonym: "chalcogens" EXACT IUPAC_NAME [IUPAC] synonym: "Chalkogen" RELATED [ChEBI] synonym: "Chalkogene" RELATED [ChEBI] synonym: "group 16 elements" RELATED [ChEBI] synonym: "group VI elements" RELATED [ChEBI] xref: PMID:17084588 "Europe PMC" is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33304 name: chalcogen molecular entity namespace: chebi_ontology def: "Any p-block molecular entity containing a chalcogen." [] subset: 3_STAR synonym: "chalcogen compounds" RELATED [ChEBI] synonym: "chalcogen molecular entities" RELATED [ChEBI] synonym: "chalcogen molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33303 ! chalcogen property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33305 name: tellurium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "tellurium compounds" RELATED [ChEBI] synonym: "tellurium molecular entities" RELATED [ChEBI] synonym: "tellurium molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:30452 ! tellurium atom [Term] id: CHEBI:33306 name: carbon group element atom namespace: chebi_ontology subset: 3_STAR synonym: "carbon group element" RELATED [ChEBI] synonym: "carbon group elements" RELATED [ChEBI] synonym: "carbonoides" RELATED [ChEBI] synonym: "cristallogene" RELATED [ChEBI] synonym: "cristallogenes" RELATED [ChEBI] synonym: "group 14 elements" EXACT IUPAC_NAME [IUPAC] synonym: "group IV elements" RELATED [ChEBI] is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33308 name: carboxylic ester namespace: chebi_ontology alt_id: CHEBI:13204 alt_id: CHEBI:23028 alt_id: CHEBI:3408 def: "An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]C(=O)O[*]" RELATED SMILES [ChEBI] synonym: "a carboxylic ester" RELATED [UniProt] synonym: "carboxylic acid esters" RELATED [ChEBI] synonym: "Carboxylic ester" EXACT [KEGG_COMPOUND] synonym: "carboxylic esters" EXACT IUPAC_NAME [IUPAC] synonym: "CO2R2" RELATED FORMULA [ChEBI] xref: KEGG:C02391 xref: Wikipedia:Ester is_a: CHEBI:35701 ! ester is_a: CHEBI:36586 ! carbonyl compound [Term] id: CHEBI:33318 name: main group element atom namespace: chebi_ontology def: "An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table." [] subset: 3_STAR synonym: "Hauptgruppenelement" RELATED [ChEBI] synonym: "Hauptgruppenelemente" RELATED [ChEBI] synonym: "main group element" RELATED [ChEBI] synonym: "main group elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33250 ! atom [Term] id: CHEBI:33319 name: lanthanoid atom namespace: chebi_ontology subset: 3_STAR synonym: "lanthanide" RELATED [ChEBI] synonym: "lanthanides" RELATED [ChEBI] synonym: "Lanthanoid" RELATED [ChEBI] synonym: "lanthanoid" RELATED [ChEBI] synonym: "Lanthanoide" RELATED [ChEBI] synonym: "Lanthanoidengruppe" RELATED [ChEBI] synonym: "Lanthanoidenreiche" RELATED [ChEBI] synonym: "lanthanoids" EXACT IUPAC_NAME [IUPAC] synonym: "Ln" RELATED [ChEBI] is_a: CHEBI:33321 ! rare earth metal atom [Term] id: CHEBI:33321 name: rare earth metal atom namespace: chebi_ontology subset: 3_STAR synonym: "rare earth metal" RELATED [ChEBI] synonym: "rare earth metals" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:27081 ! transition element atom [Term] id: CHEBI:33340 name: zinc group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 12 elements" EXACT IUPAC_NAME [IUPAC] synonym: "zinc group element" RELATED [ChEBI] synonym: "zinc group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33341 name: titanium atom namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "22Ti" RELATED [IUPAC] synonym: "47.86700" RELATED MASS [ChEBI] synonym: "47.948" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[Ti]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Ti" RELATED InChI [ChEBI] synonym: "RTAQQCXQSZGOHL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Ti" RELATED [IUPAC] synonym: "Ti" RELATED FORMULA [ChEBI] synonym: "Titan" RELATED [ChEBI] synonym: "titane" RELATED [ChEBI] synonym: "titanio" RELATED [ChEBI] synonym: "titanium" EXACT IUPAC_NAME [IUPAC] synonym: "titanium" RELATED [ChEBI] xref: CAS:7440-32-6 "ChemIDplus" xref: WebElements:Ti is_a: CHEBI:33345 ! titanium group element atom [Term] id: CHEBI:33345 name: titanium group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 4 elements" EXACT IUPAC_NAME [IUPAC] synonym: "titanium group element" RELATED [ChEBI] synonym: "titanium group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33350 name: chromium group element atom namespace: chebi_ontology subset: 3_STAR synonym: "chromium group element" RELATED [ChEBI] synonym: "chromium group elements" RELATED [ChEBI] synonym: "group 6 elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33352 name: manganese group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 7 elements" EXACT IUPAC_NAME [IUPAC] synonym: "manganese group element" RELATED [ChEBI] synonym: "manganese group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33356 name: iron group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 8 elements" EXACT IUPAC_NAME [IUPAC] synonym: "iron group element" RELATED [ChEBI] synonym: "iron group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33362 name: nickel group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 10 elements" EXACT IUPAC_NAME [IUPAC] synonym: "nickel group element" RELATED [ChEBI] synonym: "nickel group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33364 name: platinum namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "194.965" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "195.07800" RELATED MASS [ChEBI] synonym: "78Pt" RELATED [IUPAC] synonym: "[Pt]" RELATED SMILES [ChEBI] synonym: "BASFCYQUMIYNBI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Pt" RELATED InChI [ChEBI] synonym: "Platin" RELATED [ChEBI] synonym: "platine" RELATED [ChEBI] synonym: "platino" RELATED [ChEBI] synonym: "platinum" EXACT IUPAC_NAME [IUPAC] synonym: "Pt" RELATED FORMULA [ChEBI] synonym: "Pt" RELATED [IUPAC] xref: CAS:7440-06-4 "ChemIDplus" xref: WebElements:Pt is_a: CHEBI:33362 ! nickel group element atom is_a: CHEBI:33365 ! platinum group metal atom [Term] id: CHEBI:33365 name: platinum group metal atom namespace: chebi_ontology subset: 3_STAR synonym: "PGM" RELATED [ChEBI] synonym: "Platinmetalle" RELATED [ChEBI] synonym: "platinoid" RELATED [ChEBI] synonym: "Platinoide" RELATED [ChEBI] synonym: "platinum group metal" RELATED [ChEBI] synonym: "platinum group metals" RELATED [ChEBI] synonym: "platinum metals" RELATED [ChEBI] is_a: CHEBI:27081 ! transition element atom [Term] id: CHEBI:33366 name: copper group element atom namespace: chebi_ontology subset: 3_STAR synonym: "coinage metals" RELATED [ChEBI] synonym: "copper group element" RELATED [ChEBI] synonym: "copper group elements" RELATED [ChEBI] synonym: "group 11 elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33369 name: cerium namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "139.905" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "140.11600" RELATED MASS [ChEBI] synonym: "58Ce" RELATED [IUPAC] synonym: "[Ce]" RELATED SMILES [ChEBI] synonym: "Ce" RELATED FORMULA [ChEBI] synonym: "Ce" RELATED [IUPAC] synonym: "Cer" RELATED [ChEBI] synonym: "cerio" RELATED [ChEBI] synonym: "cerium" EXACT IUPAC_NAME [IUPAC] synonym: "cerium" EXACT [ChEBI] synonym: "GWXLDORMOJMVQZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Ce" RELATED InChI [ChEBI] synonym: "Zer" RELATED [ChEBI] xref: CAS:7440-45-1 "NIST Chemistry WebBook" xref: Gmelin:16275 "Gmelin" xref: WebElements:Ce is_a: CHEBI:33319 ! lanthanoid atom is_a: CHEBI:33562 ! f-block element atom [Term] id: CHEBI:33384 name: L-serine zwitterion namespace: chebi_ontology def: "A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-serine." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "105.043" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "105.09262" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H](CO)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C3H7NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-serine" RELATED [UniProt] synonym: "L-serine zwitterion" EXACT [IUPAC] synonym: "MTCFGRXMJLQNBG-REOHCLBHSA-N" RELATED InChIKey [ChEBI] xref: MetaCyc:SER is_a: CHEBI:35243 ! serine zwitterion relationship: is_enantiomer_of CHEBI:35247 ! D-serine zwitterion relationship: is_tautomer_of CHEBI:17115 ! L-serine [Term] id: CHEBI:33402 name: sulfur oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "oxoacids of sulfur" RELATED [ChEBI] synonym: "sulfur oxoacids" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33484 ! chalcogen oxoacid [Term] id: CHEBI:33405 name: hydracid namespace: chebi_ontology def: "A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." [] subset: 3_STAR synonym: "hydracid" EXACT IUPAC_NAME [IUPAC] synonym: "hydracids" RELATED [ChEBI] is_a: CHEBI:33608 ! hydrogen molecular entity relationship: has_role CHEBI:39141 ! Bronsted acid [Term] id: CHEBI:33408 name: pnictogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid is_a: CHEBI:33302 ! pnictogen molecular entity [Term] id: CHEBI:33424 name: sulfur oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "sulfur oxoacid derivative" EXACT [ChEBI] synonym: "sulfur oxoacid derivatives" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33241 ! oxoacid derivative [Term] id: CHEBI:33425 name: halogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "halogen oxoacid" EXACT [ChEBI] synonym: "halogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity is_a: CHEBI:24833 ! oxoacid [Term] id: CHEBI:33426 name: chlorine oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "chlorine oxoacid" EXACT [ChEBI] synonym: "chlorine oxoacids" RELATED [ChEBI] is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:33425 ! halogen oxoacid relationship: is_conjugate_acid_of CHEBI:33437 ! chlorine oxoanion [Term] id: CHEBI:33429 name: monoatomic monoanion namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "0.00000" RELATED MASS [ChEBI] synonym: "[*-]" RELATED SMILES [ChEBI] synonym: "monoatomic monoanions" RELATED [ChEBI] is_a: CHEBI:23905 ! monoatomic anion is_a: CHEBI:36830 ! monoanion [Term] id: CHEBI:33431 name: elemental chlorine namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:33434 ! elemental halogen [Term] id: CHEBI:33432 name: monoatomic chlorine namespace: chebi_ontology subset: 3_STAR synonym: "atomic chlorine" RELATED [ChEBI] synonym: "Cl" RELATED FORMULA [ChEBI] is_a: CHEBI:33431 ! elemental chlorine is_a: CHEBI:33433 ! monoatomic halogen [Term] id: CHEBI:33433 name: monoatomic halogen namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic halogens" RELATED [ChEBI] is_a: CHEBI:33238 ! monoatomic entity [Term] id: CHEBI:33434 name: elemental halogen namespace: chebi_ontology subset: 3_STAR synonym: "elemental halogen" EXACT [ChEBI] synonym: "elemental halogens" RELATED [ChEBI] is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33437 name: chlorine oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "chlorine oxoanion" EXACT [ChEBI] synonym: "chlorine oxoanions" RELATED [ChEBI] is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:33443 ! halogen oxoanion relationship: is_conjugate_base_of CHEBI:33426 ! chlorine oxoacid [Term] id: CHEBI:33443 name: halogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "halogen oxoanion" EXACT [ChEBI] synonym: "halogen oxoanions" RELATED [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:33447 name: phospho sugar namespace: chebi_ontology alt_id: CHEBI:15132 alt_id: CHEBI:25406 alt_id: CHEBI:26086 alt_id: CHEBI:9320 def: "Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid." [] subset: 3_STAR synonym: "monosaccharide phosphates" RELATED [ChEBI] synonym: "phospho sugar" EXACT [ChEBI] synonym: "phospho sugars" RELATED [ChEBI] synonym: "phosphorylated sugar" RELATED [ChEBI] synonym: "phosphorylated sugars" RELATED [ChEBI] synonym: "phosphosugar" RELATED [ChEBI] synonym: "phosphosugars" RELATED [ChEBI] xref: KEGG:C00934 xref: PMID:18186488 "Europe PMC" is_a: CHEBI:26816 ! carbohydrate phosphate is_a: CHEBI:63367 ! monosaccharide derivative [Term] id: CHEBI:33452 name: benzylic group namespace: chebi_ontology def: "Arylmethyl groups and derivatives formed by substitution: ArCR2-." [] subset: 3_STAR synonym: "benzylic group" EXACT [IUPAC] synonym: "benzylic groups" EXACT IUPAC_NAME [IUPAC] synonym: "benzylic groups" RELATED [ChEBI] synonym: "groupe benzylique" RELATED [IUPAC] is_a: CHEBI:33249 ! organyl group [Term] id: CHEBI:33455 name: nitrogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen oxoacids" RELATED [ChEBI] synonym: "oxoacids of nitrogen" RELATED [ChEBI] is_a: CHEBI:33408 ! pnictogen oxoacid is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:33457 name: phosphorus oxoacid namespace: chebi_ontology def: "A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons." [] subset: 3_STAR synonym: "oxoacids of phosphorus" RELATED [ChEBI] synonym: "Oxosaeure des Phosphors" RELATED [ChEBI] synonym: "phosphorus oxoacid" EXACT [ChEBI] synonym: "phosphorus oxoacids" RELATED [ChEBI] is_a: CHEBI:33408 ! pnictogen oxoacid is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives [Term] id: CHEBI:33458 name: nitrogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen oxoanion" EXACT [ChEBI] synonym: "nitrogen oxoanions" RELATED [ChEBI] synonym: "oxoanions of nitrogen" RELATED [ChEBI] is_a: CHEBI:33459 ! pnictogen oxoanion is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:33459 name: pnictogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen oxoanion" EXACT [ChEBI] synonym: "pnictogen oxoanions" RELATED [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:33461 name: phosphorus oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "oxoanions of phosphorus" RELATED [ChEBI] synonym: "phosphorus oxoanion" EXACT [ChEBI] synonym: "phosphorus oxoanions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:33459 ! pnictogen oxoanion [Term] id: CHEBI:33462 name: phosphonate(1-) namespace: chebi_ontology def: "A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "80.974" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "80.98784" RELATED MASS [ChEBI] synonym: "[H]OP([H])([O-])=O" RELATED SMILES [ChEBI] synonym: "[PHO2(OH)](-)" RELATED [IUPAC] synonym: "ABLZXFCXXLZCGV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "H2O3P" RELATED FORMULA [ChEBI] synonym: "hydridohydroxidodioxidophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen phosphonate" RELATED [IUPAC] synonym: "hydrogenphosphonate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-1" RELATED InChI [ChEBI] is_a: CHEBI:33461 ! phosphorus oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:16215 ! phosphonate(2-) relationship: is_conjugate_base_of CHEBI:44976 ! phosphonic acid [Term] id: CHEBI:33482 name: sulfur oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "oxoanions of sulfur" RELATED [ChEBI] synonym: "sulfur oxoanion" EXACT [ChEBI] synonym: "sulfur oxoanions" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33485 ! chalcogen oxoanion [Term] id: CHEBI:33484 name: chalcogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "chalcogen oxoacid" EXACT [ChEBI] synonym: "chalcogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid [Term] id: CHEBI:33485 name: chalcogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "chalcogen oxoanion" EXACT [ChEBI] synonym: "chalcogen oxoanions" RELATED [ChEBI] is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:33488 name: selenium oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "oxoanions of selenium" RELATED [ChEBI] synonym: "selenium oxoanion" EXACT [ChEBI] synonym: "selenium oxoanions" RELATED [ChEBI] is_a: CHEBI:26628 ! selenium molecular entity is_a: CHEBI:33485 ! chalcogen oxoanion [Term] id: CHEBI:33489 name: selenium oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "oxoacids of selenium" RELATED [ChEBI] synonym: "selenium oxoacid" EXACT [ChEBI] synonym: "selenium oxoacids" RELATED [ChEBI] is_a: CHEBI:26628 ! selenium molecular entity is_a: CHEBI:33484 ! chalcogen oxoacid [Term] id: CHEBI:33497 name: transition element molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms of a transition element." [] subset: 3_STAR synonym: "transition element molecular entities" RELATED [ChEBI] synonym: "transition metal molecular entity" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:27081 ! transition element atom [Term] id: CHEBI:33504 name: alkali metal cation namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal cations" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation [Term] id: CHEBI:33508 name: glyceric acid namespace: chebi_ontology alt_id: CHEBI:24348 alt_id: CHEBI:24349 alt_id: CHEBI:33846 def: "A trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "106.027" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "106.07734" RELATED MASS [ChEBI] synonym: "2,3-dihydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2,3-dihydroxypropionic acid" RELATED [ChEBI] synonym: "C3H6O4" RELATED FORMULA [ChEBI] synonym: "glyceric acid" EXACT [ChemIDplus] synonym: "Gro" RELATED [ChEBI] synonym: "InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)" RELATED InChI [ChEBI] synonym: "OCC(O)C(O)=O" RELATED SMILES [ChEBI] synonym: "RBNPOMFGQQGHHO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1721417 "Beilstein" xref: CAS:473-81-4 "ChemIDplus" xref: Gmelin:164608 "Gmelin" xref: PMID:14957916 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:21071844 "Europe PMC" xref: PMID:21701101 "Europe PMC" xref: PMID:21852749 "Europe PMC" xref: PMID:22226201 "Europe PMC" xref: Reaxys:1721417 "Reaxys" xref: Wikipedia:Glyceric_acid is_a: CHEBI:33754 ! trionic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:33871 ! glycerate [Term] id: CHEBI:33515 name: transition element cation namespace: chebi_ontology subset: 3_STAR synonym: "transition element cations" RELATED [ChEBI] synonym: "transition metal cation" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation [Term] id: CHEBI:33519 name: tellurium oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "oxoacids of tellurium" RELATED [ChEBI] synonym: "tellurium oxoacid" EXACT [ChEBI] synonym: "tellurium oxoacids" RELATED [ChEBI] is_a: CHEBI:33305 ! tellurium molecular entity is_a: CHEBI:33484 ! chalcogen oxoacid [Term] id: CHEBI:33520 name: tellurium oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "oxoanions of tellurium" RELATED [ChEBI] synonym: "tellurium oxoanion" EXACT [ChEBI] synonym: "tellurium oxoanions" RELATED [ChEBI] is_a: CHEBI:33305 ! tellurium molecular entity is_a: CHEBI:33485 ! chalcogen oxoanion [Term] id: CHEBI:33521 name: metal atom namespace: chebi_ontology alt_id: CHEBI:25217 alt_id: CHEBI:6788 def: "An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity." [] subset: 3_STAR synonym: "elemental metal" RELATED [ChEBI] synonym: "elemental metals" RELATED [ChEBI] synonym: "metal element" RELATED [ChEBI] synonym: "metal elements" RELATED [ChEBI] synonym: "metals" RELATED [ChEBI] xref: KEGG:C00050 xref: PMID:21784043 "Europe PMC" xref: Wikipedia:Metal is_a: CHEBI:33250 ! atom [Term] id: CHEBI:33522 name: hydrogentellurite namespace: chebi_ontology def: "A monovalent inorganic anion obtained by removal of a proton from H2TeO3" [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "176.60614" RELATED MASS [ChEBI] synonym: "178.899" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[H]O[Te]([O-])=O" RELATED SMILES [ChEBI] synonym: "[TeO2(OH)](-)" RELATED [IUPAC] synonym: "HO3Te" RELATED FORMULA [ChEBI] synonym: "HTeO3(-)" RELATED [IUPAC] synonym: "hydroxidodioxidotellurate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O3Te/c1-4(2)3/h(H2,1,2,3)/p-1" RELATED InChI [ChEBI] synonym: "SITVSCPRJNYAGV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Gmelin:323330 "Gmelin" is_a: CHEBI:33520 ! tellurium oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:30477 ! tellurite relationship: is_conjugate_base_of CHEBI:30465 ! tellurous acid [Term] id: CHEBI:33529 name: idonate namespace: chebi_ontology alt_id: CHEBI:24767 alt_id: CHEBI:33528 subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "C5H11O7" RELATED FORMULA [ChEBI] synonym: "idonates" RELATED [ChEBI] is_a: CHEBI:33867 ! idonates relationship: is_conjugate_base_of CHEBI:21337 ! idonic acid [Term] id: CHEBI:33535 name: sulfur hydride namespace: chebi_ontology subset: 3_STAR synonym: "hydrides of sulfur" RELATED [ChEBI] synonym: "sulfur hydride" EXACT [ChEBI] synonym: "sulfur hydrides" RELATED [ChEBI] synonym: "sulphur hydrides" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:36902 ! chalcogen hydride [Term] id: CHEBI:33540 name: thiosulfuric acid namespace: chebi_ontology subset: 3_STAR synonym: "H2O3S2" RELATED FORMULA [ChEBI] synonym: "sulfurothioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "thiosulfuric acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:33541 ! thiosulfate(1-) [Term] id: CHEBI:33541 name: thiosulfate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "HO3S2" RELATED FORMULA [ChEBI] synonym: "HS2O3(-)" RELATED [IUPAC] synonym: "hydrogen sulfurothioate" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00320 is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_acid_of CHEBI:16094 ! thiosulfate(2-) relationship: is_conjugate_base_of CHEBI:33540 ! thiosulfuric acid [Term] id: CHEBI:33543 name: sulfonate namespace: chebi_ontology def: "The sulfur oxoanion formed by deprotonation of sulfonic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "80.965" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "81.07214" RELATED MASS [ChEBI] synonym: "[H]S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "[SHO3](-)" RELATED [IUPAC] synonym: "BDHFUVZGWQCTTF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "HO3S" RELATED FORMULA [ChEBI] synonym: "hydridotrioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1" RELATED InChI [ChEBI] synonym: "SHO3(-)" RELATED [IUPAC] synonym: "sulfonates" RELATED [ChEBI] xref: Gmelin:971569 "Gmelin" is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_base_of CHEBI:29214 ! sulfonic acid [Term] id: CHEBI:33549 name: uronate namespace: chebi_ontology alt_id: CHEBI:27250 alt_id: CHEBI:27251 subset: 3_STAR synonym: "uronate" EXACT [ChEBI] synonym: "uronates" RELATED [ChEBI] is_a: CHEBI:33721 ! carbohydrate acid anion is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:27252 ! uronic acid [Term] id: CHEBI:33551 name: organosulfonic acid namespace: chebi_ontology def: "An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "80.965" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "81.07100" RELATED MASS [ChEBI] synonym: "HO3SR" RELATED FORMULA [ChEBI] synonym: "organosulfonic acids" RELATED [ChEBI] synonym: "OS([*])(=O)=O" RELATED SMILES [ChEBI] synonym: "sulfonic acids" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33552 ! sulfonic acid derivative relationship: has_part CHEBI:29922 ! sulfo group relationship: has_part CHEBI:33249 ! organyl group relationship: is_conjugate_acid_of CHEBI:33554 ! organosulfonate oxoanion [Term] id: CHEBI:33552 name: sulfonic acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "derivatives of sulfonic acid" RELATED [ChEBI] synonym: "sulfonic acid derivative" EXACT [ChEBI] synonym: "sulfonic acid derivatives" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative relationship: has_functional_parent CHEBI:29214 ! sulfonic acid [Term] id: CHEBI:33554 name: organosulfonate oxoanion namespace: chebi_ontology def: "An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid." [] subset: 3_STAR synonym: "*S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "79.957" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "80.064" RELATED MASS [ChEBI] synonym: "O3SR" RELATED FORMULA [ChEBI] synonym: "organosulfonate" RELATED [ChEBI] synonym: "organosulfonate oxoanions" RELATED [ChEBI] synonym: "organosulfonates" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: has_functional_parent CHEBI:33543 ! sulfonate relationship: is_conjugate_base_of CHEBI:33551 ! organosulfonic acid [Term] id: CHEBI:33558 name: alpha-amino-acid anion namespace: chebi_ontology def: "An amino-acid anion obtained by deprotonation of any alpha-amino acid." [] subset: 3_STAR synonym: "alpha-amino acid anions" RELATED [ChEBI] synonym: "alpha-amino-acid anion" EXACT [ChEBI] synonym: "alpha-amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33704 ! alpha-amino acid [Term] id: CHEBI:33559 name: s-block element atom namespace: chebi_ontology subset: 3_STAR synonym: "s-block element" RELATED [ChEBI] synonym: "s-block elements" RELATED [ChEBI] is_a: CHEBI:33250 ! atom [Term] id: CHEBI:33560 name: p-block element atom namespace: chebi_ontology def: "Any main group element atom belonging to the p-block of the periodic table." [] subset: 3_STAR synonym: "p-block element" RELATED [ChEBI] synonym: "p-block elements" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom [Term] id: CHEBI:33561 name: d-block element atom namespace: chebi_ontology subset: 3_STAR synonym: "d-block element" RELATED [ChEBI] synonym: "d-block elements" RELATED [ChEBI] is_a: CHEBI:27081 ! transition element atom [Term] id: CHEBI:33562 name: f-block element atom namespace: chebi_ontology subset: 3_STAR synonym: "f-block element" RELATED [ChEBI] synonym: "f-block elements" RELATED [ChEBI] is_a: CHEBI:27081 ! transition element atom [Term] id: CHEBI:33566 name: catechols namespace: chebi_ontology alt_id: CHEBI:134187 alt_id: CHEBI:13628 alt_id: CHEBI:18862 def: "Any compound containing an o-diphenol component." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,2-benzenediols" RELATED [ChEBI] synonym: "106.005" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "106.079" RELATED MASS [ChEBI] synonym: "a catechol" RELATED [UniProt] synonym: "benzene-1,2-diols" RELATED [ChEBI] synonym: "C6H2O2R4" RELATED FORMULA [ChEBI] synonym: "OC1=C(O)C(*)=C(*)C(*)=C1*" RELATED SMILES [ChEBI] xref: KEGG:C15571 is_a: CHEBI:33570 ! benzenediols [Term] id: CHEBI:33567 name: catecholamine namespace: chebi_ontology alt_id: CHEBI:23056 alt_id: CHEBI:3468 def: "4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] and derivatives formed by substitution." [] subset: 3_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "151.063" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "151.163" RELATED MASS [KEGG_COMPOUND] synonym: "C8H9NO2R2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Catecholamine" EXACT [KEGG_COMPOUND] synonym: "catecholamines" EXACT IUPAC_NAME [IUPAC] synonym: "catecholamines" RELATED [ChEBI] xref: KEGG:C02012 is_a: CHEBI:25375 ! monoamine molecular messenger is_a: CHEBI:33566 ! catechols [Term] id: CHEBI:33568 name: adrenaline namespace: chebi_ontology def: "A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen." [] subset: 3_STAR synonym: "(+-)-adrenaline" RELATED [IUPHAR] synonym: "(+-)-epinephrine" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "183.090" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "183.20446" RELATED MASS [ChEBI] synonym: "2-(methylamino)-1-(3,4-dihydroxyphenyl)ethanol" RELATED [ChemIDplus] synonym: "4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "C9H13NO3" RELATED FORMULA [ChEBI] synonym: "CNCC(O)c1ccc(O)c(O)c1" RELATED SMILES [ChEBI] synonym: "dl-adrenaline" RELATED [ChemIDplus] synonym: "epinephrine racemic" RELATED [ChemIDplus] synonym: "InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3" RELATED InChI [ChEBI] synonym: "racepinefrina" RELATED INN [ChemIDplus] synonym: "racepinefrine" RELATED INN [ChemIDplus] synonym: "racepinefrinum" RELATED INN [ChemIDplus] synonym: "UCTWMZQNUQWSLP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2212160 "ChemIDplus" xref: CAS:329-65-7 "ChemIDplus" xref: colombos:EPINEPHRINE xref: Drug_Central:4508 "DrugCentral" xref: Gmelin:51559 "Gmelin" xref: LINCS:LSM-4958 xref: PMID:10052027 "Europe PMC" xref: PMID:24252294 "Europe PMC" xref: PMID:24719616 "Europe PMC" xref: Reaxys:2212160 "Reaxys" is_a: CHEBI:33567 ! catecholamine relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:33569 name: noradrenaline namespace: chebi_ontology def: "A catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "169.074" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "169.17788" RELATED MASS [ChEBI] synonym: "4-(2-amino-1-hydroxyethyl)benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "C8H11NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2" RELATED InChI [ChEBI] synonym: "NCC(O)c1ccc(O)c(O)c1" RELATED SMILES [ChEBI] synonym: "noradrenalina" RELATED [ChEBI] synonym: "norepinephrine" RELATED [ChEBI] synonym: "SFLSHLFXELFNJZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2210994 "Beilstein" xref: CAS:138-65-8 "NIST Chemistry WebBook" xref: colombos:NOREPINEPHRINE xref: Gmelin:863925 "Gmelin" xref: LINCS:LSM-5181 is_a: CHEBI:33567 ! catecholamine relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] id: CHEBI:33570 name: benzenediols namespace: chebi_ontology alt_id: CHEBI:22705 alt_id: CHEBI:22711 subset: 3_STAR is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:33575 name: carboxylic acid namespace: chebi_ontology alt_id: CHEBI:13428 alt_id: CHEBI:13627 alt_id: CHEBI:23027 def: "A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "44.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "45.01740" RELATED MASS [ChEBI] synonym: "acide carboxylique" RELATED [IUPAC] synonym: "acides carboxyliques" RELATED [IUPAC] synonym: "acido carboxilico" RELATED [IUPAC] synonym: "acidos carboxilicos" RELATED [IUPAC] synonym: "Carbonsaeure" RELATED [ChEBI] synonym: "Carbonsaeuren" RELATED [ChEBI] synonym: "carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "CHO2R" RELATED FORMULA [ChEBI] synonym: "Karbonsaeure" RELATED [ChEBI] synonym: "OC([*])=O" RELATED SMILES [ChEBI] synonym: "RC(=O)OH" RELATED [IUPAC] xref: PMID:17147560 "Europe PMC" xref: PMID:18433345 "Europe PMC" xref: Wikipedia:Carboxylic_acid is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36586 ! carbonyl compound is_a: CHEBI:64709 ! organic acid relationship: has_part CHEBI:46883 ! carboxy group relationship: is_conjugate_acid_of CHEBI:29067 ! carboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.998" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33576 name: sulfur-containing carboxylic acid namespace: chebi_ontology def: "Any carboxylic acid having a sulfur substituent." [] subset: 3_STAR synonym: "S-containing carboxylic acid" RELATED [ChEBI] synonym: "S-containing carboxylic acids" RELATED [ChEBI] synonym: "sulfur-containing carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:33579 name: main group molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table." [] subset: 3_STAR synonym: "main group compounds" RELATED [ChEBI] synonym: "main group molecular entities" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:33318 ! main group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33582 name: carbon group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "carbon group molecular entities" RELATED [ChEBI] synonym: "carbon group molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33306 ! carbon group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33585 name: lead molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "lead compounds" RELATED [ChEBI] synonym: "lead molecular entities" RELATED [ChEBI] synonym: "lead molecular entity" EXACT [ChEBI] is_a: CHEBI:33582 ! carbon group molecular entity relationship: has_part CHEBI:25016 ! lead atom [Term] id: CHEBI:33595 name: cyclic compound namespace: chebi_ontology def: "Any molecule that consists of a series of atoms joined together to form a ring." [] subset: 3_STAR synonym: "cyclic compounds" RELATED [ChEBI] xref: Wikipedia:Cyclic_compound is_a: CHEBI:25367 ! molecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33597 name: homocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of the same element only." [] subset: 3_STAR synonym: "homocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "homocyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "isocyclic compounds" RELATED [IUPAC] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33598 name: carbocyclic compound namespace: chebi_ontology def: "A homocyclic compound in which all of the ring members are carbon atoms." [] subset: 3_STAR synonym: "carbocycle" RELATED [ChEBI] synonym: "carbocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "carbocyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33597 ! homocyclic compound is_a: CHEBI:33832 ! organic cyclic compound [Term] id: CHEBI:33608 name: hydrogen molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "hydrogen compounds" RELATED [ChEBI] synonym: "hydrogen molecular entities" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:49637 ! hydrogen atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33635 name: polycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "polycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33636 name: bicyclic compound namespace: chebi_ontology def: "A molecule that features two fused rings." [] subset: 3_STAR synonym: "bicyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33637 name: ortho-fused compound namespace: chebi_ontology def: "A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms." [] subset: 3_STAR synonym: "ortho-fused compounds" RELATED [ChEBI] synonym: "ortho-fused polycyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35293 ! fused compound [Term] id: CHEBI:33653 name: aliphatic compound namespace: chebi_ontology def: "Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds." [] subset: 3_STAR synonym: "aliphatic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33655 name: aromatic compound namespace: chebi_ontology def: "A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character." [] subset: 3_STAR synonym: "aromatic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "aromatic molecular entity" EXACT IUPAC_NAME [IUPAC] synonym: "aromatics" RELATED [ChEBI] synonym: "aromatische Verbindungen" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33658 name: arene namespace: chebi_ontology def: "Any monocyclic or polycyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "arene" EXACT IUPAC_NAME [IUPAC] synonym: "arenes" EXACT IUPAC_NAME [IUPAC] synonym: "aromatic hydrocarbons" RELATED [IUPAC] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33663 ! cyclic hydrocarbon [Term] id: CHEBI:33659 name: organic aromatic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic aromatic compounds" RELATED [ChEBI] is_a: CHEBI:33655 ! aromatic compound is_a: CHEBI:33832 ! organic cyclic compound [Term] id: CHEBI:33661 name: monocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33662 name: annulene namespace: chebi_ontology def: "A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms." [] subset: 3_STAR synonym: "annulene" EXACT IUPAC_NAME [IUPAC] synonym: "annulenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33664 ! monocyclic hydrocarbon [Term] id: CHEBI:33663 name: cyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "cyclic hydrocarbon" EXACT [ChEBI] synonym: "cyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:33598 ! carbocyclic compound [Term] id: CHEBI:33664 name: monocyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic hydrocarbon" EXACT [ChEBI] synonym: "monocyclic hydrocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "monocyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33663 ! cyclic hydrocarbon [Term] id: CHEBI:33666 name: polycyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "polycyclic hydrocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "polycyclic hydrocarbons" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33663 ! cyclic hydrocarbon is_a: CHEBI:35294 ! carbopolycyclic compound [Term] id: CHEBI:33670 name: heteromonocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heteromonocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "heteromonocyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33661 ! monocyclic compound is_a: CHEBI:5686 ! heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33671 name: heteropolycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heteropolycyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "polyheterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound is_a: CHEBI:5686 ! heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33672 name: heterobicyclic compound namespace: chebi_ontology def: "A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom." [] subset: 3_STAR synonym: "heterobicyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33636 ! bicyclic compound is_a: CHEBI:5686 ! heterocyclic compound [Term] id: CHEBI:33673 name: zinc group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc group molecular entities" RELATED [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33340 ! zinc group element atom [Term] id: CHEBI:33674 name: s-block molecular entity namespace: chebi_ontology def: "An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element." [] subset: 3_STAR synonym: "s-block compounds" RELATED [ChEBI] synonym: "s-block molecular entities" RELATED [ChEBI] synonym: "s-block molecular entity" EXACT [ChEBI] is_a: CHEBI:33579 ! main group molecular entity relationship: has_part CHEBI:33559 ! s-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33675 name: p-block molecular entity namespace: chebi_ontology def: "A main group molecular entity that contains one or more atoms of a p-block element." [] subset: 3_STAR synonym: "p-block compounds" RELATED [ChEBI] synonym: "p-block molecular entities" RELATED [ChEBI] synonym: "p-block molecular entitiy" RELATED [ChEBI] is_a: CHEBI:33579 ! main group molecular entity relationship: has_part CHEBI:33560 ! p-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33676 name: d-block molecular entity namespace: chebi_ontology def: "A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element." [] subset: 3_STAR synonym: "d-block compounds" RELATED [ChEBI] synonym: "d-block molecular entities" RELATED [ChEBI] synonym: "d-block molecular entity" EXACT [ChEBI] is_a: CHEBI:33497 ! transition element molecular entity relationship: has_part CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33677 name: f-block molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms of an f-block element." [] subset: 3_STAR synonym: "f-block compounds" RELATED [ChEBI] synonym: "f-block molecular entities" RELATED [ChEBI] is_a: CHEBI:33497 ! transition element molecular entity relationship: has_part CHEBI:33562 ! f-block element atom [Term] id: CHEBI:33692 name: hydrides namespace: chebi_ontology def: "Hydrides are chemical compounds of hydrogen with other chemical elements." [] subset: 3_STAR is_a: CHEBI:33608 ! hydrogen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:33693 name: oxygen hydride namespace: chebi_ontology subset: 3_STAR synonym: "hydrides of oxygen" RELATED [ChEBI] synonym: "oxygen hydride" EXACT [ChEBI] synonym: "oxygen hydrides" RELATED [ChEBI] is_a: CHEBI:36902 ! chalcogen hydride [Term] id: CHEBI:33694 name: biomacromolecule namespace: chebi_ontology def: "A macromolecule formed by a living organism." [] subset: 3_STAR synonym: "biomacromolecules" RELATED [ChEBI] synonym: "biopolymer" EXACT IUPAC_NAME [IUPAC] synonym: "Biopolymere" RELATED [ChEBI] synonym: "biopolymers" RELATED [ChEBI] is_a: CHEBI:33839 ! macromolecule is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33702 name: polyatomic cation namespace: chebi_ontology def: "A cation consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic cations" RELATED [ChEBI] is_a: CHEBI:36358 ! polyatomic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:33703 name: amino-acid cation namespace: chebi_ontology subset: 3_STAR synonym: "amino acid cation" RELATED [ChEBI] synonym: "amino-acid cation" EXACT [ChEBI] synonym: "amino-acid cations" RELATED [ChEBI] is_a: CHEBI:33702 ! polyatomic cation [Term] id: CHEBI:33704 name: alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:10208 alt_id: CHEBI:13779 alt_id: CHEBI:22442 alt_id: CHEBI:2642 def: "An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "74.05870" RELATED MASS [ChEBI] synonym: "alpha-amino acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-amino acids" RELATED [ChEBI] synonym: "alpha-amino acids" RELATED [JCBN] synonym: "alpha-amino carboxylic acids" RELATED [IUPAC] synonym: "Amino acid" RELATED [KEGG_COMPOUND] synonym: "Amino acids" RELATED [KEGG_COMPOUND] synonym: "C2H4NO2R" RELATED FORMULA [ChEBI] synonym: "NC([*])C(O)=O" RELATED SMILES [ChEBI] xref: KEGG:C00045 xref: KEGG:C05167 is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:33558 ! alpha-amino-acid anion relationship: is_tautomer_of CHEBI:78608 ! alpha-amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC([*])C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33706 name: beta-amino acid namespace: chebi_ontology def: "A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position beta to the carboxy group." [] subset: 3_STAR synonym: "beta-amino acid" EXACT [ChEBI] synonym: "beta-amino acids" RELATED [ChEBI] is_a: CHEBI:83820 ! non-proteinogenic amino acid [Term] id: CHEBI:33707 name: gamma-amino acid namespace: chebi_ontology def: "A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group." [] subset: 3_STAR synonym: "gamma-amino acid" EXACT [ChEBI] synonym: "gamma-amino acids" RELATED [ChEBI] is_a: CHEBI:83820 ! non-proteinogenic amino acid relationship: is_conjugate_acid_of CHEBI:71666 ! gamma-amino acid anion [Term] id: CHEBI:33708 name: amino-acid residue namespace: chebi_ontology def: "When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue." [] subset: 3_STAR synonym: "amino acid residue" RELATED [ChEBI] synonym: "amino-acid residue" EXACT IUPAC_NAME [IUPAC] synonym: "amino-acid residues" RELATED [JCBN] is_a: CHEBI:33247 ! organic group relationship: is_substituent_group_from CHEBI:33709 ! amino acid [Term] id: CHEBI:33709 name: amino acid namespace: chebi_ontology alt_id: CHEBI:13815 alt_id: CHEBI:22477 def: "A carboxylic acid containing one or more amino groups." [] subset: 3_STAR synonym: "amino acids" RELATED [ChEBI] synonym: "Aminocarbonsaeure" RELATED [ChEBI] synonym: "Aminokarbonsaeure" RELATED [ChEBI] synonym: "Aminosaeure" RELATED [ChEBI] xref: Wikipedia:Amino_acid is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:50047 ! organic amino compound relationship: is_conjugate_acid_of CHEBI:37022 ! amino-acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33719 name: alpha-amino-acid cation namespace: chebi_ontology subset: 3_STAR synonym: "alpha-amino acid cations" RELATED [ChEBI] synonym: "alpha-amino-acid cation" EXACT [ChEBI] synonym: "alpha-amino-acid cations" RELATED [ChEBI] is_a: CHEBI:33703 ! amino-acid cation [Term] id: CHEBI:33720 name: carbohydrate acid namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate acid" EXACT [ChEBI] synonym: "carbohydrate acids" RELATED [ChEBI] is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:33721 ! carbohydrate acid anion [Term] id: CHEBI:33721 name: carbohydrate acid anion namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate acid anion" EXACT [ChEBI] synonym: "carbohydrate acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:33720 ! carbohydrate acid [Term] id: CHEBI:33731 name: cluster namespace: chebi_ontology def: "A cluster is a number of metal centres grouped close together which can have direct metal bonding interactions or interactions through a bridging ligand, but are not necessarily held together by these interactions." [] subset: 3_STAR synonym: "cluster" EXACT IUPAC_NAME [IUPAC] synonym: "cluster compound" RELATED [ChEBI] synonym: "cluster compounds" RELATED [ChEBI] synonym: "clusters" RELATED [ChEBI] synonym: "polynuclear clusters" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:33733 name: heteronuclear cluster namespace: chebi_ontology subset: 3_STAR synonym: "hetero-nuclear clusters" EXACT IUPAC_NAME [IUPAC] synonym: "heteronuclear cluster" EXACT [ChEBI] synonym: "heteronuclear clusters" RELATED [ChEBI] is_a: CHEBI:33731 ! cluster [Term] id: CHEBI:33738 name: di-mu-sulfido-diiron(1+) namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "175.814" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "175.82200" RELATED MASS [ChEBI] synonym: "[2Fe-2S](1+)" RELATED [UniProt] synonym: "[2Fe-2S](1+)" RELATED [IUBMB] synonym: "[Fe2(mu-S)2](+)" RELATED [ChEBI] synonym: "[Fe2S2](+)" RELATED [ChEBI] synonym: "di-mu-sulfido-diiron(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "di-mu-sulfido-diiron(II,III)" EXACT IUPAC_NAME [IUPAC] synonym: "Fe2S2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/2Fe.2S/q;+1;;" RELATED InChI [ChEBI] synonym: "MAGIRAZQQVQNKP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "S1[Fe]S[Fe+]1" RELATED SMILES [ChEBI] xref: Gmelin:1485588 "Gmelin" is_a: CHEBI:49601 ! Fe2S2 iron-sulfur cluster [Term] id: CHEBI:33741 name: chromium group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "chromium group molecular entities" RELATED [ChEBI] synonym: "chromium group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33350 ! chromium group element atom [Term] id: CHEBI:33742 name: tungsten molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "tungsten compounds" RELATED [ChEBI] synonym: "tungsten molecular entities" RELATED [ChEBI] synonym: "tungsten molecular entity" EXACT [ChEBI] is_a: CHEBI:33741 ! chromium group molecular entity relationship: has_part CHEBI:27998 ! tungsten [Term] id: CHEBI:33743 name: manganese group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "manganese group molecular entities" RELATED [ChEBI] synonym: "manganese group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33352 ! manganese group element atom [Term] id: CHEBI:33744 name: iron group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "iron group molecular entities" RELATED [ChEBI] synonym: "iron group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33356 ! iron group element atom [Term] id: CHEBI:33745 name: copper group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "copper group molecular entities" RELATED [ChEBI] synonym: "copper group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33366 ! copper group element atom [Term] id: CHEBI:33747 name: nickel group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "nickel group molecular entities" RELATED [ChEBI] synonym: "nickel group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33362 ! nickel group element atom [Term] id: CHEBI:33748 name: nickel molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "nickel compounds" RELATED [ChEBI] synonym: "nickel molecular entities" RELATED [ChEBI] synonym: "nickel molecular entity" EXACT [ChEBI] is_a: CHEBI:33747 ! nickel group molecular entity relationship: has_part CHEBI:28112 ! nickel atom [Term] id: CHEBI:33749 name: platinum molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "platinum compounds" RELATED [ChEBI] synonym: "platinum molecular entities" RELATED [ChEBI] synonym: "platinum molecular entity" EXACT [ChEBI] is_a: CHEBI:33747 ! nickel group molecular entity relationship: has_part CHEBI:33364 ! platinum [Term] id: CHEBI:33752 name: hexonic acid namespace: chebi_ontology def: "Any aldonic acid formed by oxidising the aldehyde group of an aldohexose to a carboxylic acid group." [] subset: 3_STAR synonym: "aldohexonic acids" RELATED [ChEBI] synonym: "hexonic acid" EXACT [ChEBI] synonym: "hexonic acids" RELATED [ChEBI] is_a: CHEBI:22301 ! aldonic acid [Term] id: CHEBI:33754 name: trionic acid namespace: chebi_ontology subset: 3_STAR synonym: "aldotrionic acids" RELATED [ChEBI] synonym: "trionic acid" EXACT [ChEBI] synonym: "trionic acids" RELATED [ChEBI] is_a: CHEBI:22301 ! aldonic acid [Term] id: CHEBI:33760 name: hexonate namespace: chebi_ontology subset: 3_STAR synonym: "aldohexonates" RELATED [ChEBI] synonym: "hexonate" EXACT [ChEBI] synonym: "hexonates" RELATED [ChEBI] is_a: CHEBI:22299 ! aldonate [Term] id: CHEBI:33763 name: trionate namespace: chebi_ontology subset: 3_STAR synonym: "aldotrionates" RELATED [ChEBI] synonym: "trionate" EXACT [ChEBI] synonym: "trionates" RELATED [ChEBI] is_a: CHEBI:22299 ! aldonate [Term] id: CHEBI:33768 name: titanium group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "titanium group molecular entities" RELATED [ChEBI] synonym: "titanium group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33345 ! titanium group element atom [Term] id: CHEBI:33775 name: lanthanoid molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "lanthanoid compounds" RELATED [ChEBI] synonym: "lanthanoid molecular entities" RELATED [ChEBI] is_a: CHEBI:33677 ! f-block molecular entity relationship: has_part CHEBI:33319 ! lanthanoid atom [Term] id: CHEBI:33798 name: tetraric acid anion namespace: chebi_ontology subset: 3_STAR synonym: "tetrarate" RELATED [ChEBI] synonym: "tetrarates" RELATED [ChEBI] synonym: "tetraric acid anions" RELATED [ChEBI] is_a: CHEBI:22289 ! aldaric acid anion [Term] id: CHEBI:33801 name: D-glucarate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "C6H9O8" RELATED FORMULA [ChEBI] synonym: "D-saccharate" RELATED [ChEBI] synonym: "D-saccharate(1-)" RELATED [ChEBI] synonym: "hydrogen D-glucarate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35392 ! glucarate(1-) relationship: is_conjugate_acid_of CHEBI:30612 ! D-glucarate(2-) relationship: is_conjugate_base_of CHEBI:16002 ! D-glucaric acid [Term] id: CHEBI:33804 name: gluconates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33760 ! hexonate [Term] id: CHEBI:33808 name: galacturonic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24592 ! hexuronic acid [Term] id: CHEBI:33812 name: galacturonates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24591 ! hexuronate [Term] id: CHEBI:33822 name: organic hydroxy compound namespace: chebi_ontology alt_id: CHEBI:64710 def: "An organic compound having at least one hydroxy group attached to a carbon atom." [] subset: 3_STAR synonym: "hydroxy compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organic alcohol" RELATED [ChEBI] synonym: "organic hydroxy compounds" RELATED [ChEBI] is_a: CHEBI:24651 ! hydroxides is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33823 name: enol namespace: chebi_ontology def: "Alkenols; the term refers specifically to vinylic alcohols, which have the structure HOCR'=CR2. Enols are tautomeric with aldehydes (R' = H) or ketones (R' =/= H)." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "41.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "41.02870" RELATED MASS [ChEBI] synonym: "alkenols" RELATED [IUPAC] synonym: "C2HOR3" RELATED FORMULA [ChEBI] synonym: "enol" EXACT [IUPAC] synonym: "enols" EXACT IUPAC_NAME [IUPAC] synonym: "enols" RELATED [ChEBI] synonym: "O\\C([*])=C(/[*])[*]" RELATED SMILES [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:78840 ! olefinic compound [Term] id: CHEBI:33830 name: galacturonic acid namespace: chebi_ontology alt_id: CHEBI:24176 alt_id: CHEBI:42929 alt_id: CHEBI:5261 subset: 3_STAR synonym: "C6H10O7" RELATED FORMULA [KEGG_COMPOUND] synonym: "Galacturonic acid" EXACT [KEGG_COMPOUND] xref: CAS:14982-50-4 "KEGG COMPOUND" xref: DrugBank:DB03511 xref: KEGG:C08348 xref: PMID:24315943 "Europe PMC" is_a: CHEBI:33808 ! galacturonic acids relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:24175 ! galacturonate [Term] id: CHEBI:33832 name: organic cyclic compound namespace: chebi_ontology def: "Any organic molecule that consists of atoms connected in the form of a ring." [] subset: 3_STAR synonym: "organic cyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound is_a: CHEBI:72695 ! organic molecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33833 name: heteroarene namespace: chebi_ontology def: "A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2)." [] subset: 3_STAR synonym: "hetarenes" RELATED [IUPAC] synonym: "heteroarenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:33836 name: benzenoid aromatic compound namespace: chebi_ontology subset: 3_STAR synonym: "benzenoid aromatic compounds" RELATED [ChEBI] synonym: "benzenoid compound" RELATED [ChEBI] is_a: CHEBI:33598 ! carbocyclic compound is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:33838 name: nucleoside namespace: chebi_ontology alt_id: CHEBI:13661 alt_id: CHEBI:25611 alt_id: CHEBI:7647 def: "An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "116.047" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "116.115" RELATED MASS [ChEBI] synonym: "[C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO" RELATED SMILES [ChEBI] synonym: "a nucleoside" RELATED [UniProt] synonym: "C5H8O3R2" RELATED FORMULA [ChEBI] synonym: "Nucleoside" EXACT [KEGG_COMPOUND] synonym: "nucleosides" EXACT IUPAC_NAME [IUPAC] synonym: "nucleosides" RELATED [ChEBI] xref: KEGG:C00801 is_a: CHEBI:21731 ! N-glycosyl compound is_a: CHEBI:26912 ! oxolanes is_a: CHEBI:61120 ! nucleobase-containing molecular entity [Term] id: CHEBI:33839 name: macromolecule namespace: chebi_ontology def: "A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass." [] subset: 3_STAR synonym: "macromolecule" EXACT IUPAC_NAME [IUPAC] synonym: "macromolecules" RELATED [ChEBI] synonym: "polymer" RELATED [ChEBI] synonym: "polymer molecule" RELATED [IUPAC] synonym: "polymers" RELATED [ChEBI] xref: Wikipedia:Macromolecule is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:33842 name: aromatic annulene namespace: chebi_ontology subset: 3_STAR synonym: "aromatic annulenes" RELATED [ChEBI] is_a: CHEBI:33662 ! annulene is_a: CHEBI:33847 ! monocyclic arene [Term] id: CHEBI:33847 name: monocyclic arene namespace: chebi_ontology def: "A monocyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "monocyclic arenes" RELATED [ChEBI] is_a: CHEBI:33658 ! arene [Term] id: CHEBI:33848 name: polycyclic arene namespace: chebi_ontology def: "A polycyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "PAH" RELATED [ChEBI] synonym: "PAHs" RELATED [ChEBI] synonym: "polycyclic arenes" RELATED [ChEBI] synonym: "polycyclic aromatic hydrocarbons" RELATED [ChEBI] xref: PMID:15198916 "Europe PMC" xref: PMID:25679824 "Europe PMC" xref: Wikipedia:Polycyclic_aromatic_hydrocarbon is_a: CHEBI:33658 ! arene is_a: CHEBI:33666 ! polycyclic hydrocarbon relationship: has_role CHEBI:138015 ! endocrine disruptor relationship: has_role CHEBI:50903 ! carcinogenic agent [Term] id: CHEBI:33853 name: phenols namespace: chebi_ontology alt_id: CHEBI:13664 alt_id: CHEBI:13825 alt_id: CHEBI:25969 alt_id: CHEBI:2857 def: "Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring." [] subset: 3_STAR synonym: "arenols" RELATED [IUPAC] synonym: "Aryl alcohol" RELATED [KEGG_COMPOUND] synonym: "aryl alcohol" RELATED [UniProt] synonym: "phenols" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C15584 xref: MetaCyc:Aryl-Alcohol xref: Wikipedia:Phenols is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:33856 name: aromatic amino acid namespace: chebi_ontology alt_id: CHEBI:13820 alt_id: CHEBI:22623 alt_id: CHEBI:2835 subset: 3_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "74.024" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "88.085" RELATED MASS [KEGG_COMPOUND] synonym: "Aromatic amino acid" EXACT [KEGG_COMPOUND] synonym: "aromatic amino acid" EXACT [UniProt] synonym: "aromatic amino acids" RELATED [ChEBI] synonym: "Aromatic L-amino acid" RELATED [KEGG_COMPOUND] synonym: "C2H4NO2R" RELATED FORMULA [KEGG_COMPOUND] xref: KEGG:C01021 is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63473 ! aromatic amino-acid anion relationship: is_tautomer_of CHEBI:76042 ! aromatic amino-acid zwitterion [Term] id: CHEBI:33859 name: aromatic carboxylic acid namespace: chebi_ontology alt_id: CHEBI:13817 alt_id: CHEBI:13821 alt_id: CHEBI:2830 def: "Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring." [] subset: 3_STAR synonym: "aromatic carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:33659 ! organic aromatic compound relationship: is_conjugate_acid_of CHEBI:91007 ! aromatic carboxylate [Term] id: CHEBI:33860 name: aromatic amine namespace: chebi_ontology alt_id: CHEBI:13827 alt_id: CHEBI:22622 alt_id: CHEBI:22646 alt_id: CHEBI:2834 alt_id: CHEBI:2863 def: "An amino compound in which the amino group is linked directly to an aromatic system." [] subset: 3_STAR synonym: "aromatic amines" RELATED [ChEBI] synonym: "aryl amine" RELATED [ChEBI] synonym: "aryl amines" RELATED [ChEBI] synonym: "arylamine" RELATED [ChEBI] synonym: "arylamines" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:33861 name: transition element coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "transition element coordination entities" RELATED [ChEBI] synonym: "transition metal coordination compounds" RELATED [ChEBI] synonym: "transition metal coordination entities" RELATED [ChEBI] is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33497 ! transition element molecular entity [Term] id: CHEBI:33862 name: platinum coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "platinum coordination compounds" RELATED [ChEBI] synonym: "platinum coordination entities" RELATED [ChEBI] synonym: "platinum coordination entity" EXACT [ChEBI] is_a: CHEBI:33749 ! platinum molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:33867 name: idonates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33760 ! hexonate [Term] id: CHEBI:33871 name: glycerate namespace: chebi_ontology def: "A hydroxy monocarboxylic acid anion that is the conjugate base of glyceric acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "105.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "105.06940" RELATED MASS [ChEBI] synonym: "C3H5O4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1" RELATED InChI [ChEBI] synonym: "OCC(O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "RBNPOMFGQQGHHO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Reaxys:3602204 "Reaxys" is_a: CHEBI:24347 ! glycerates is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: has_functional_parent CHEBI:17272 ! propionate relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:33508 ! glyceric acid [Term] id: CHEBI:33883 name: fructuronic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24592 ! hexuronic acid [Term] id: CHEBI:33886 name: glucuronic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24592 ! hexuronic acid relationship: is_conjugate_acid_of CHEBI:33903 ! glucuronates [Term] id: CHEBI:33892 name: iron coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "iron coordination compounds" RELATED [ChEBI] synonym: "iron coordination entities" RELATED [ChEBI] synonym: "iron coordination entity" EXACT [ChEBI] is_a: CHEBI:24873 ! iron molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:33893 name: reagent namespace: chebi_ontology def: "A substance used in a chemical reaction to detect, measure, examine, or produce other substances." [] subset: 3_STAR synonym: "reactif" RELATED [IUPAC] synonym: "reactivo" RELATED [IUPAC] synonym: "reagent" EXACT IUPAC_NAME [IUPAC] synonym: "reagents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:33901 name: fructuronates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24591 ! hexuronate [Term] id: CHEBI:33903 name: glucuronates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24591 ! hexuronate relationship: is_conjugate_base_of CHEBI:33886 ! glucuronic acids [Term] id: CHEBI:33916 name: aldopentose namespace: chebi_ontology def: "A pentose with a (potential) aldehyde group at one end." [] subset: 3_STAR synonym: "aldopentose" EXACT [ChEBI] synonym: "aldopentoses" RELATED [ChEBI] xref: PMID:10723607 "Europe PMC" is_a: CHEBI:15693 ! aldose is_a: CHEBI:25901 ! pentose [Term] id: CHEBI:33917 name: aldohexose namespace: chebi_ontology alt_id: CHEBI:2558 def: "A hexose with a (potential) aldehyde group at one end." [] subset: 3_STAR synonym: "aldohexose" EXACT [ChEBI] synonym: "aldohexoses" RELATED [ChEBI] is_a: CHEBI:15693 ! aldose is_a: CHEBI:18133 ! hexose [Term] id: CHEBI:33937 name: macronutrient namespace: chebi_ontology subset: 1_STAR synonym: "macronutrients" RELATED [ChEBI] is_a: CHEBI:33284 ! nutrient [Term] id: CHEBI:33942 name: ribose namespace: chebi_ontology alt_id: CHEBI:26564 def: "Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature." [] subset: 3_STAR synonym: "C5H10O5" RELATED FORMULA [ChEBI] synonym: "Rib" RELATED [JCBN] synonym: "ribo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "ribose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33916 ! aldopentose [Term] id: CHEBI:33958 name: halide salt namespace: chebi_ontology subset: 3_STAR synonym: "halide salts" RELATED [ChEBI] synonym: "halides" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:37578 ! halide relationship: has_part CHEBI:16042 ! halide anion [Term] id: CHEBI:33969 name: gold molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "gold compounds" RELATED [ChEBI] synonym: "gold molecular entities" RELATED [ChEBI] synonym: "gold molecular entity" EXACT [ChEBI] is_a: CHEBI:33745 ! copper group molecular entity relationship: has_part CHEBI:29287 ! gold atom [Term] id: CHEBI:33970 name: elemental gold namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33969 ! gold molecular entity [Term] id: CHEBI:33975 name: magnesium salt namespace: chebi_ontology subset: 3_STAR synonym: "magnesium salts" RELATED [ChEBI] is_a: CHEBI:25108 ! magnesium molecular entity is_a: CHEBI:36364 ! alkaline earth salt [Term] id: CHEBI:33983 name: deoxymannose namespace: chebi_ontology subset: 3_STAR synonym: "deoxymannoses" RELATED [ChEBI] is_a: CHEBI:23628 ! deoxyhexose [Term] id: CHEBI:33984 name: fucose namespace: chebi_ontology alt_id: CHEBI:24118 alt_id: CHEBI:5182 def: "Any deoxygalactose that is deoxygenated at the 6-position." [] subset: 3_STAR synonym: "6-Deoxygalactose" RELATED [KEGG_COMPOUND] synonym: "6-deoxygalactose" EXACT IUPAC_NAME [IUPAC] synonym: "Fuc" RELATED [JCBN] synonym: "Fucose" EXACT [KEGG_COMPOUND] synonym: "fucose" EXACT IUPAC_NAME [IUPAC] xref: CAS:7724-73-4 "ChemIDplus" xref: KEGG:C00382 xref: PMID:12651883 "Europe PMC" is_a: CHEBI:23622 ! deoxygalactose [Term] id: CHEBI:33985 name: muramates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] id: CHEBI:3424 name: carnitinium namespace: chebi_ontology def: "A quaternary ammonium ion that is the the conjugate acid of carnitine." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "162.113" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "162.20688" RELATED MASS [ChEBI] synonym: "3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "3-hydroxy-4-(trimethylammonio)butanoic acid" RELATED [ChEBI] synonym: "C7H16NO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[N+](C)(C)CC(O)CC(O)=O" RELATED SMILES [ChEBI] synonym: "Carnitine" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1" RELATED InChI [ChEBI] synonym: "PHIQHXFUZVPYII-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: CAS:406-76-8 "KEGG COMPOUND" xref: CAS:461-06-3 "KEGG COMPOUND" xref: KEGG:C00487 is_a: CHEBI:35267 ! quaternary ammonium ion relationship: has_functional_parent CHEBI:16080 ! gamma-amino-beta-hydroxybutyric acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:17126 ! carnitine [Term] id: CHEBI:34768 name: furfural namespace: chebi_ontology alt_id: CHEBI:42593 def: "An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-Formylfuran" RELATED [ChemIDplus] synonym: "2-Furaldehyde" RELATED [KEGG_COMPOUND] synonym: "2-Furanaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "2-Furancarbonal" RELATED [ChemIDplus] synonym: "2-Furancarboxaldehyde" RELATED [ChemIDplus] synonym: "2-Furyl-methanal" RELATED [ChemIDplus] synonym: "2-Furylcarboxaldehyde" RELATED [ChemIDplus] synonym: "96.021" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "96.08410" RELATED MASS [ChEBI] synonym: "C5H4O2" RELATED FORMULA [ChEBI] synonym: "Furaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "furan-2-carbaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "HYBBIBNJHNGZAN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" RELATED InChI [ChEBI] synonym: "O=Cc1ccco1" RELATED SMILES [ChEBI] xref: CAS:98-01-1 "NIST Chemistry WebBook" xref: colombos:FURFURAL xref: KEGG:C14279 xref: KNApSAcK:C00030331 xref: MetaCyc:CPD0-2357 xref: PDBeChem:FU2 xref: PMID:17439666 "Europe PMC" xref: PMID:21925629 "Europe PMC" xref: PMID:22081946 "Europe PMC" xref: PMID:22133603 "Europe PMC" xref: PMID:22213717 "Europe PMC" xref: PMID:22277539 "Europe PMC" xref: PMID:22315196 "Europe PMC" xref: PMID:22504824 "Europe PMC" xref: PMID:22512171 "Europe PMC" xref: PMID:22592554 "Europe PMC" xref: PMID:22639140 "Europe PMC" xref: PMID:22648683 "Europe PMC" xref: PMID:22703600 "Europe PMC" xref: Reaxys:105755 "Reaxys" xref: Wikipedia:Furfural xref: YMDB:YMDB01459 is_a: CHEBI:17478 ! aldehyde is_a: CHEBI:24129 ! furans relationship: has_functional_parent CHEBI:35559 ! furan relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:77523 ! Maillard reaction product [Term] id: CHEBI:34887 name: nickel dichloride namespace: chebi_ontology def: "A compound of nickel and chloride in which the ratio of nickel (in the +2 oxidation state) to chloride is 1:2." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "127.873" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "129.59880" RELATED MASS [ChEBI] synonym: "[NiCl2]" RELATED [IUPAC] synonym: "Cl2Ni" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cl[Ni]Cl" RELATED SMILES [ChEBI] synonym: "InChI=1S/2ClH.Ni/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI] synonym: "Nickel chloride" RELATED [KEGG_COMPOUND] synonym: "nickel dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "nickel(2+) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Nickel(II) chloride" RELATED [KEGG_COMPOUND] synonym: "nickel(II) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "nickelous chloride" RELATED [ChemIDplus] synonym: "NiCl2" RELATED [IUPAC] synonym: "QMMRZOWCJAIUJA-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] xref: CAS:7718-54-9 "KEGG COMPOUND" xref: KEGG:C14711 xref: PMID:11739495 "Europe PMC" xref: PMID:12603851 "Europe PMC" xref: PMID:21928331 "Europe PMC" xref: PMID:23179351 "Europe PMC" xref: PMID:23622879 "Europe PMC" xref: PMID:23702803 "Europe PMC" xref: PMID:23735035 "Europe PMC" xref: PMID:7671317 "Europe PMC" xref: Reaxys:3902827 "Reaxys" xref: Reaxys:8128171 "Reaxys" xref: Wikipedia:Nickel_dichloride is_a: CHEBI:35438 ! nickel coordination entity relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:59174 ! hapten [Term] id: CHEBI:34905 name: paraquat namespace: chebi_ontology def: "An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions." [] subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "1,1'-Dimethyl-4,4'-bipyridinium" RELATED [KEGG_COMPOUND] synonym: "1,1'-dimethyl-4,4'-bipyridyldiylium" RELATED [ChemIDplus] synonym: "1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium" EXACT IUPAC_NAME [IUPAC] synonym: "186.116" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "186.25304" RELATED MASS [ChEBI] synonym: "C12H14N2" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[n+]1ccc(cc1)-c1cc[n+](C)cc1" RELATED SMILES [ChEBI] synonym: "dimethyl viologen" RELATED [ChemIDplus] synonym: "InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2" RELATED InChI [ChEBI] synonym: "INFDPOAKFNIJBF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "methyl viologen ion(2+)" RELATED [ChemIDplus] synonym: "N,N'-dimethyl-4,4'-bipyridinium" RELATED [ChemIDplus] synonym: "N,N'-dimethyl-4,4'-bipyridinium dication" RELATED [ChemIDplus] synonym: "Paraquat" EXACT [KEGG_COMPOUND] synonym: "paraquat dication" RELATED [ChemIDplus] synonym: "paraquat ion" RELATED [ChemIDplus] xref: Beilstein:3590305 "Beilstein" xref: CAS:4685-14-7 "ChemIDplus" xref: colombos:PARAQUAT xref: Gmelin:51125 "Gmelin" xref: KEGG:C14701 xref: PMID:11349957 "Europe PMC" xref: PMID:18620719 "Europe PMC" xref: PMID:20377249 "Europe PMC" xref: PMID:20582739 "Europe PMC" xref: PMID:21236547 "Europe PMC" xref: PMID:21300143 "Europe PMC" xref: PMID:21318114 "Europe PMC" xref: PMID:21429624 "Europe PMC" xref: PMID:21493003 "Europe PMC" xref: PMID:21598522 "Europe PMC" xref: PMID:21616728 "Europe PMC" xref: PMID:21619794 "Europe PMC" xref: PMID:21619822 "Europe PMC" xref: PMID:21750730 "Europe PMC" xref: PMID:21777615 "Europe PMC" xref: PMID:21787677 "Europe PMC" xref: PMID:21802509 "Europe PMC" xref: Reaxys:3590305 "Reaxys" is_a: CHEBI:25697 ! organic cation relationship: has_parent_hydride CHEBI:30985 ! 4,4'-bipyridine relationship: has_role CHEBI:24527 ! herbicide [Term] id: CHEBI:3507 name: cefsulodin namespace: chebi_ontology def: "A pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic." [] subset: 3_STAR synonym: "(6R,7R)-3-[(4-carbamoylpyridinium-1-yl)methyl]-8-oxo-7-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "532.072" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "532.54600" RELATED MASS [ChEBI] synonym: "7beta-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-3-(4-carbamoylpyridinium-1-yl)methyl-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12SCC(C[n+]3ccc(cc3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)S(O)(=O)=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C22H20N4O8S2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cefsulodin" EXACT [KEGG_COMPOUND] synonym: "cefsulodin" RELATED INN [ChemIDplus] synonym: "cefsulodine" RELATED INN [ChemIDplus] synonym: "cefsulodino" RELATED INN [ChemIDplus] synonym: "cefsulodinum" RELATED INN [ChemIDplus] synonym: "InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1" RELATED InChI [ChEBI] synonym: "SYLKGLMBLAAGSC-QLVMHMETSA-N" RELATED InChIKey [ChEBI] xref: CAS:62587-73-9 "ChemIDplus" xref: colombos:CEFSULODIN xref: Drug_Central:558 "DrugCentral" xref: KEGG:C11253 xref: KEGG:D07653 xref: PMID:1384868 "Europe PMC" xref: PMID:23139798 "Europe PMC" xref: Wikipedia:Cefsulodin is_a: CHEBI:23066 ! cephalosporin relationship: has_role CHEBI:36047 ! antibacterial drug [Term] id: CHEBI:35106 name: nitrogen hydride namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen hydrides" RELATED [ChEBI] is_a: CHEBI:35881 ! pnictogen hydride is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:35107 name: azane namespace: chebi_ontology def: "Saturated acyclic nitrogen hydrides having the general formula NnHn+2." [] subset: 3_STAR synonym: "azanes" RELATED [ChEBI] is_a: CHEBI:35106 ! nitrogen hydride [Term] id: CHEBI:35113 name: elemental mercury namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25196 ! mercury molecular entity [Term] id: CHEBI:35115 name: elemental manganese namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25154 ! manganese molecular entity [Term] id: CHEBI:35117 name: manganese coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "manganese coordination compounds" RELATED [ChEBI] synonym: "manganese coordination entities" RELATED [ChEBI] synonym: "manganese coordination entity" EXACT [ChEBI] is_a: CHEBI:25154 ! manganese molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:35131 name: aldose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "aldose phosphates" RELATED [ChEBI] is_a: CHEBI:33447 ! phospho sugar [Term] id: CHEBI:35132 name: ketose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "ketose phosphate" EXACT [ChEBI] synonym: "ketose phosphates" RELATED [ChEBI] is_a: CHEBI:33447 ! phospho sugar [Term] id: CHEBI:35155 name: elemental calcium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22985 ! calcium molecular entity [Term] id: CHEBI:35175 name: sulfate salt namespace: chebi_ontology subset: 3_STAR synonym: "sulfate salts" RELATED [ChEBI] synonym: "sulfates" RELATED [ChEBI] synonym: "sulphate salts" RELATED [ChEBI] synonym: "sulphates" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:26820 ! sulfates [Term] id: CHEBI:35176 name: zinc sulfate namespace: chebi_ontology def: "A metal sulfate compound having zinc(2+) as the counterion." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "159.881" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "161.45360" RELATED MASS [ChEBI] synonym: "[Zn++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2" RELATED InChI [ChEBI] synonym: "NWONKYPBYAMBJT-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "O4SZn" RELATED FORMULA [ChEBI] synonym: "zinc sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "zinc sulfate (1:1)" RELATED [ChemIDplus] synonym: "zinc sulfate anhydrous" RELATED [ChemIDplus] synonym: "zinc sulphate" RELATED [ChemIDplus] synonym: "zinc(2+) sulfate" RELATED [IUPAC] synonym: "zinc(II) sulfate" RELATED [IUPAC] synonym: "ZnSO4" RELATED [IUPAC] xref: CAS:7733-02-0 "ChemIDplus" xref: colombos:ZnSO4 xref: Gmelin:18165 "Gmelin" xref: PMID:10469300 "Europe PMC" xref: PMID:16792750 "Europe PMC" xref: PMID:23264166 "Europe PMC" xref: PMID:23271682 "Europe PMC" xref: PMID:23282999 "Europe PMC" xref: PMID:23356505 "Europe PMC" xref: PMID:23689708 "Europe PMC" xref: PMID:23720981 "Europe PMC" xref: PMID:8566016 "Europe PMC" xref: Wikipedia:Zinc_Sulfate is_a: CHEBI:27364 ! zinc molecular entity is_a: CHEBI:51336 ! metal sulfate relationship: has_part CHEBI:29105 ! zinc(2+) [Term] id: CHEBI:35179 name: 2-oxo monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:70795 def: "An oxo monocarboxylic acid anion in which the oxo group is located at the 2-position." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-oxo monocarboxylate" RELATED [ChEBI] synonym: "2-oxo monocarboxylic acid anions" RELATED [ChEBI] synonym: "71.985" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[O-]C(=O)C([*])=O" RELATED SMILES [ChEBI] synonym: "a 2-oxo carboxylate" RELATED [UniProt] synonym: "C2O3R" RELATED FORMULA [ChEBI] xref: MetaCyc:2-Oxo-carboxylates "SUBMITTER" xref: PMID:10850983 "SUBMITTER" is_a: CHEBI:35902 ! oxo monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35910 ! 2-oxo monocarboxylic acid [Term] id: CHEBI:35186 name: terpene namespace: chebi_ontology def: "A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2]." [] subset: 3_STAR synonym: "Terpen" RELATED [ChEBI] synonym: "terpene" EXACT [IUPAC] synonym: "terpenes" EXACT IUPAC_NAME [IUPAC] synonym: "terpenes" RELATED [IUPAC] synonym: "terpeno" RELATED [IUPAC] synonym: "terpenos" RELATED [IUPAC] is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:24913 ! isoprenoid [Term] id: CHEBI:35191 name: triterpene namespace: chebi_ontology def: "A C30 terpene." [] subset: 3_STAR synonym: "Triterpen" RELATED [ChEBI] synonym: "triterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "triterpenes" RELATED [IUPAC] synonym: "triterpeno" RELATED [IUPAC] synonym: "triterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35195 name: surfactant namespace: chebi_ontology def: "A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces." [] subset: 3_STAR synonym: "surface active agent" RELATED [IUPAC] synonym: "surfactant" EXACT IUPAC_NAME [IUPAC] synonym: "surfactants" RELATED [ChEBI] is_a: CHEBI:63046 ! emulsifier [Term] id: CHEBI:35196 name: nitrogen oxide namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen oxides" RELATED [ChEBI] synonym: "oxides of nitrogen" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:35202 name: molybdenum coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "molybdenum coordination compounds" RELATED [ChEBI] synonym: "molybdenum coordination entities" RELATED [ChEBI] is_a: CHEBI:25370 ! molybdenum molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:35219 name: plant growth retardant namespace: chebi_ontology alt_id: CHEBI:26154 alt_id: CHEBI:26156 subset: 3_STAR synonym: "plant growth inhibitor" RELATED [ChEBI] synonym: "plant growth inhibitors" RELATED [ChEBI] synonym: "plant growth retardants" RELATED [ChEBI] is_a: CHEBI:26155 ! plant growth regulator [Term] id: CHEBI:35221 name: antimetabolite namespace: chebi_ontology def: "A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization." [] subset: 3_STAR synonym: "antimetabolite" EXACT IUPAC_NAME [IUPAC] synonym: "antimetabolites" RELATED [ChEBI] xref: Wikipedia:Antimetabolite is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:35222 name: inhibitor namespace: chebi_ontology def: "A substance that diminishes the rate of a chemical reaction." [] subset: 3_STAR synonym: "inhibidor" RELATED [ChEBI] synonym: "inhibiteur" RELATED [ChEBI] synonym: "inhibitor" EXACT IUPAC_NAME [IUPAC] synonym: "inhibitors" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:35223 name: catalyst namespace: chebi_ontology def: "A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction." [] subset: 3_STAR synonym: "catalizador" RELATED [ChEBI] synonym: "catalyseur" RELATED [ChEBI] synonym: "catalyst" EXACT IUPAC_NAME [IUPAC] synonym: "Katalysator" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:35224 name: effector namespace: chebi_ontology def: "A small molecule which increases (activator) or decreases (inhibitor) the activity of an (allosteric) enzyme by binding to the enzyme at the regulatory site (which is different from the substrate-binding catalytic site)." [] subset: 3_STAR synonym: "effector" EXACT IUPAC_NAME [IUPAC] synonym: "enzyme modulator" RELATED [ChEBI] xref: Wikipedia:Effector_(biology) is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:35225 name: buffer namespace: chebi_ontology def: "Any substance or mixture of substances that, in solution (typically aqueous), resists change in pH upon addition of small amounts of acid or base." [] subset: 3_STAR synonym: "buffer compound" RELATED [ChEBI] synonym: "buffer compounds" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:35230 name: fossil fuel namespace: chebi_ontology def: "A fuel such as coal, oil and natural gas which has formed over many years through the decomposition of deposited vegetation which was under extreme pressure of an overburden of earth." [] subset: 3_STAR synonym: "fossil fuel" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33292 ! fuel [Term] id: CHEBI:35233 name: tungsten coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "tungsten coordination compounds" RELATED [ChEBI] synonym: "tungsten coordination entities" RELATED [ChEBI] synonym: "tungsten coordination entity" EXACT [ChEBI] is_a: CHEBI:33742 ! tungsten molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:35235 name: L-cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2R)-2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "121.020" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "121.15922" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H](CS)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C3H7NO2S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-cysteine" RELATED [UniProt] synonym: "L-cysteine zwitterion" EXACT [IUPAC] synonym: "XUJNEKJLAYXESH-REOHCLBHSA-N" RELATED InChIKey [ChEBI] xref: Gmelin:49993 "Gmelin" is_a: CHEBI:35237 ! cysteine zwitterion relationship: is_conjugate_acid_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32445 ! L-cysteinium relationship: is_enantiomer_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_tautomer_of CHEBI:17561 ! L-cysteine [Term] id: CHEBI:35236 name: D-cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(2S)-2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2S)-2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "121.020" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "121.15922" RELATED MASS [ChEBI] synonym: "[NH3+][C@H](CS)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C3H7NO2S" RELATED FORMULA [ChEBI] synonym: "D-cysteine zwitterion" EXACT [IUPAC] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "XUJNEKJLAYXESH-UWTATZPHSA-N" RELATED InChIKey [ChEBI] xref: Gmelin:2352354 "Gmelin" is_a: CHEBI:35237 ! cysteine zwitterion relationship: is_conjugate_acid_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32451 ! D-cysteinium relationship: is_enantiomer_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_tautomer_of CHEBI:16375 ! D-cysteine [Term] id: CHEBI:35237 name: cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(+)H3N-CH(CH2SH)-COO(-)" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "121.020" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "121.15922" RELATED MASS [ChEBI] synonym: "2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "[NH3+]C(CS)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C3H7NO2S" RELATED FORMULA [ChEBI] synonym: "cysteine" RELATED [UniProt] synonym: "cysteine zwitterion" EXACT [IUPAC] synonym: "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" RELATED InChI [ChEBI] synonym: "XUJNEKJLAYXESH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Gmelin:49992 "Gmelin" is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32458 ! cysteinium relationship: is_tautomer_of CHEBI:15356 ! cysteine [Term] id: CHEBI:35238 name: amino acid zwitterion namespace: chebi_ontology def: "The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group." [] subset: 3_STAR synonym: "amino acid zwitterion" EXACT [ChEBI] is_a: CHEBI:27369 ! zwitterion [Term] id: CHEBI:35243 name: serine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amnio group of serine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "105.043" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "105.09262" RELATED MASS [ChEBI] synonym: "2-ammonio-3-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "[NH3+]C(CO)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C3H7NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)" RELATED InChI [ChEBI] synonym: "MTCFGRXMJLQNBG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "serine zwitterion" EXACT [IUPAC] xref: Beilstein:3935647 "Beilstein" xref: Gmelin:2060272 "Gmelin" is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:17822 ! serine [Term] id: CHEBI:35247 name: D-serine zwitterion namespace: chebi_ontology def: "A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of D-serine." [] subset: 3_STAR synonym: "(2R)-2-ammonio-3-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "105.043" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "105.09262" RELATED MASS [ChEBI] synonym: "[NH3+][C@H](CO)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C3H7NO3" RELATED FORMULA [ChEBI] synonym: "D-serine" RELATED [UniProt] synonym: "D-serine zwitterion" EXACT [IUPAC] synonym: "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "MTCFGRXMJLQNBG-UWTATZPHSA-N" RELATED InChIKey [ChEBI] xref: MetaCyc:D-SERINE is_a: CHEBI:35243 ! serine zwitterion relationship: is_enantiomer_of CHEBI:33384 ! L-serine zwitterion relationship: is_tautomer_of CHEBI:16523 ! D-serine [Term] id: CHEBI:35267 name: quaternary ammonium ion namespace: chebi_ontology alt_id: CHEBI:26470 alt_id: CHEBI:8693 def: "A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "14.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "14.00670" RELATED MASS [ChEBI] synonym: "[*][N+]([*])([*])[*]" RELATED SMILES [ChEBI] synonym: "NR4" RELATED FORMULA [ChEBI] synonym: "Quaternary amine" RELATED [KEGG_COMPOUND] synonym: "quaternary ammonium" RELATED [UniProt] synonym: "quaternary ammonium ion" EXACT IUPAC_NAME [IUPAC] synonym: "quaternary ammonium ions" RELATED [ChEBI] xref: KEGG:C06703 is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: has_parent_hydride CHEBI:28938 ! ammonium [Term] id: CHEBI:35273 name: quaternary ammonium salt namespace: chebi_ontology alt_id: CHEBI:26468 alt_id: CHEBI:35268 def: "Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups." [] subset: 3_STAR synonym: "quaternary ammonium compound" RELATED [ChEBI] synonym: "quaternary ammonium compounds" EXACT IUPAC_NAME [IUPAC] synonym: "quaternary ammonium salt" EXACT [ChEBI] synonym: "quaternary ammonium salts" RELATED [ChEBI] is_a: CHEBI:26469 ! quaternary nitrogen compound is_a: CHEBI:46850 ! organoammonium salt [Term] id: CHEBI:35274 name: ammonium ion namespace: chebi_ontology def: "Ammonium, NH4(+), and derivatives formed by substitution by univalent groups." [] subset: 3_STAR synonym: "ammonium ions" RELATED [ChEBI] synonym: "azanium ions" RELATED [ChEBI] is_a: CHEBI:33702 ! polyatomic cation is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:35275 name: S-glycosyl compound namespace: chebi_ontology alt_id: CHEBI:22048 alt_id: CHEBI:33577 def: "A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and a S atom bound to a carbon atom, thus creating a C-S bond." [] subset: 3_STAR synonym: "S-glycoside" RELATED [ChEBI] synonym: "S-glycosides" RELATED [ChEBI] synonym: "S-glycosyl compound" EXACT [ChEBI] synonym: "S-glycosyl compounds" RELATED [ChEBI] synonym: "thioglycoside" RELATED [JCBN] synonym: "thioglycosides" RELATED [JCBN] is_a: CHEBI:59793 ! monothioacetal is_a: CHEBI:63161 ! glycosyl compound is_a: CHEBI:73754 ! thiosugar [Term] id: CHEBI:35276 name: ammonium compound namespace: chebi_ontology def: "Compounds (NH4(+))Y(-) and derivatives, in which one or more of the hydrogens bonded to nitrogen have been replaced with univalent groups." [] subset: 3_STAR synonym: "ammonium compounds" RELATED [ChEBI] synonym: "ammonium compounds" RELATED [IUPAC] synonym: "azanium compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_part CHEBI:35274 ! ammonium ion [Term] id: CHEBI:35281 name: onium betaine namespace: chebi_ontology def: "Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom." [] subset: 3_STAR synonym: "betaines" EXACT IUPAC_NAME [IUPAC] synonym: "onium betaines" RELATED [ChEBI] is_a: CHEBI:27369 ! zwitterion [Term] id: CHEBI:35282 name: sulfonium betaine namespace: chebi_ontology def: "Neutral molecules having charge-separated forms with an sulfonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom." [] subset: 3_STAR synonym: "sulfonium betaines" RELATED [ChEBI] is_a: CHEBI:26830 ! sulfonium compound is_a: CHEBI:35281 ! onium betaine [Term] id: CHEBI:35284 name: ammonium betaine namespace: chebi_ontology def: "Any neutral molecule having charge-separated forms with a quaternary ammonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom." [] subset: 3_STAR synonym: "ammonium betaines" RELATED [ChEBI] is_a: CHEBI:26469 ! quaternary nitrogen compound is_a: CHEBI:35281 ! onium betaine [Term] id: CHEBI:35286 name: iminium ion namespace: chebi_ontology def: "Cations of structure R2C=N(+)R2." [] subset: 3_STAR synonym: "iminium cations" RELATED [ChEBI] synonym: "iminium ion" EXACT [ChEBI] synonym: "iminium ions" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation [Term] id: CHEBI:35293 name: fused compound namespace: chebi_ontology subset: 3_STAR synonym: "fused compounds" RELATED [ChEBI] synonym: "fused polycyclic compounds" RELATED [ChEBI] synonym: "fused-ring polycyclic compound" RELATED [ChEBI] synonym: "fused-ring polycyclic compounds" RELATED [ChEBI] synonym: "polycyclic fused-ring compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:35294 name: carbopolycyclic compound namespace: chebi_ontology def: "A polyclic compound in which all of the ring members are carbon atoms." [] subset: 3_STAR synonym: "carbopolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33598 ! carbocyclic compound is_a: CHEBI:35295 ! homopolycyclic compound [Term] id: CHEBI:35295 name: homopolycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "homopolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33597 ! homocyclic compound is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:35296 name: ortho-fused polycyclic arene namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused polycyclic arenes" RELATED [ChEBI] is_a: CHEBI:33848 ! polycyclic arene is_a: CHEBI:35427 ! ortho-fused polycyclic hydrocarbon [Term] id: CHEBI:35297 name: acene namespace: chebi_ontology def: "A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "178.078" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "178.22920" RELATED MASS [ChEBI] synonym: "Acen" RELATED [ChEBI] synonym: "acene" EXACT [IUPAC] synonym: "acenes" EXACT IUPAC_NAME [IUPAC] synonym: "Azen" RELATED [ChEBI] synonym: "C14H10" RELATED FORMULA [ChEBI] synonym: "polyacenes" RELATED [ChEBI] is_a: CHEBI:35296 ! ortho-fused polycyclic arene is_a: CHEBI:51269 ! acenes [Term] id: CHEBI:35313 name: hexoside namespace: chebi_ontology subset: 3_STAR synonym: "hexoside" EXACT [ChEBI] synonym: "hexosides" RELATED [ChEBI] is_a: CHEBI:24400 ! glycoside [Term] id: CHEBI:35341 name: steroid namespace: chebi_ontology alt_id: CHEBI:13687 alt_id: CHEBI:26768 alt_id: CHEBI:9263 def: "Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene, so may be considered as triterpenoids." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "259.243" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "259.450" RELATED MASS [ChEBI] synonym: "a steroid" RELATED [UniProt] synonym: "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C" RELATED SMILES [ChEBI] synonym: "C19H31R" RELATED FORMULA [ChEBI] synonym: "Steroid" EXACT [KEGG_COMPOUND] synonym: "steroids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00377 xref: MetaCyc:Steroids is_a: CHEBI:18059 ! lipid is_a: CHEBI:51958 ! organic polycyclic compound [Term] id: CHEBI:35342 name: 17alpha-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:13585 alt_id: CHEBI:19174 alt_id: CHEBI:782 def: "The alpha-stereoisomer of 17-hydroxy steroid." [] subset: 3_STAR synonym: "17-alpha-Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "17alpha-hydroxy steroids" RELATED [ChEBI] xref: KEGG:C03336 is_a: CHEBI:36838 ! 17-hydroxy steroid [Term] id: CHEBI:35344 name: 21-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:1300 alt_id: CHEBI:13596 alt_id: CHEBI:19803 subset: 3_STAR synonym: "21-hydroxy steroids" RELATED [ChEBI] synonym: "21-Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "21-hydroxysteroids" RELATED [ChEBI] xref: KEGG:C02506 is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:35346 name: 11beta-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:13774 alt_id: CHEBI:19134 alt_id: CHEBI:738 def: "Any 11-hydroxy steroid in which the hydroxy group at position 11 has beta- configuration." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "11beta-hydroxy steroids" RELATED [ChEBI] synonym: "11beta-Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "11beta-hydroxysteroids" RELATED [ChEBI] synonym: "275.237" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "275.450" RELATED MASS [ChEBI] synonym: "an 11beta-hydroxysteroid" RELATED [UniProt] synonym: "C12(CCCCC1CCC3C2[C@H](CC4(C3CCC4*)C)O)C" RELATED SMILES [ChEBI] synonym: "C19H31OR" RELATED FORMULA [ChEBI] xref: KEGG:C01058 is_a: CHEBI:36841 ! 11-hydroxy steroid [Term] id: CHEBI:35350 name: hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:24748 alt_id: CHEBI:5814 subset: 3_STAR synonym: "hydroxy steroids" RELATED [ChEBI] synonym: "Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "hydroxysteroids" RELATED [ChEBI] xref: KEGG:C02159 is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:35352 name: organonitrogen compound namespace: chebi_ontology def: "Any heteroorganic entity containing at least one carbon-nitrogen bond." [] subset: 3_STAR synonym: "organonitrogen compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organonitrogens" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:51143 ! nitrogen molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35356 name: dicarboximide namespace: chebi_ontology def: "An imide in which the two acyl substituents on nitrogen are carboacyl groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "69.993" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]N(C([*])=O)C([*])=O" RELATED SMILES [ChEBI] synonym: "C2NO2R3" RELATED FORMULA [ChEBI] synonym: "dicarboximides" RELATED [ChEBI] synonym: "secondary carboxamide" RELATED [ChEBI] is_a: CHEBI:24782 ! imide is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:35358 name: sulfonamide namespace: chebi_ontology def: "An amide of a sulfonic acid RS(=O)2NR'2." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "77.965" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "78.07100" RELATED MASS [ChEBI] synonym: "[*]S(=O)(=O)N([*])[*]" RELATED SMILES [ChEBI] synonym: "NO2SR3" RELATED FORMULA [ChEBI] synonym: "sulfonamides" EXACT IUPAC_NAME [IUPAC] synonym: "sulfonamides" RELATED [ChEBI] xref: PMID:11498380 "Europe PMC" xref: PMID:2434548 "Europe PMC" xref: PMID:26811268 "Europe PMC" xref: PMID:26832216 "Europe PMC" xref: Wikipedia:Sulfonamide is_a: CHEBI:33256 ! primary amide is_a: CHEBI:33552 ! sulfonic acid derivative [Term] id: CHEBI:35359 name: carboxamidine namespace: chebi_ontology def: "Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom." [] subset: 3_STAR synonym: "Amidines" RELATED [KEGG_COMPOUND] synonym: "carboxamidines" EXACT IUPAC_NAME [IUPAC] synonym: "carboxamidines" RELATED [ChEBI] xref: KEGG:C06060 is_a: CHEBI:2634 ! amidine is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:35366 name: fatty acid namespace: chebi_ontology alt_id: CHEBI:13633 alt_id: CHEBI:24024 alt_id: CHEBI:4984 def: "Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "44.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "45.01740" RELATED MASS [ChEBI] synonym: "acide gras" RELATED [ChEBI] synonym: "acides gras" RELATED [ChemIDplus] synonym: "acido graso" RELATED [ChEBI] synonym: "acidos grasos" RELATED [ChEBI] synonym: "CHO2R" RELATED FORMULA [ChEBI] synonym: "Fatty acid" EXACT [KEGG_COMPOUND] synonym: "fatty acids" EXACT IUPAC_NAME [IUPAC] synonym: "fatty acids" RELATED [ChEBI] synonym: "Fettsaeure" RELATED [ChEBI] synonym: "Fettsaeuren" RELATED [ChEBI] synonym: "OC([*])=O" RELATED SMILES [ChEBI] xref: KEGG:C00162 xref: PMID:14287444 "Europe PMC" xref: PMID:14300208 "Europe PMC" xref: PMID:14328676 "Europe PMC" xref: Wikipedia:Fatty_acid is_a: CHEBI:18059 ! lipid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:28868 ! fatty acid anion relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:35381 name: monosaccharide namespace: chebi_ontology alt_id: CHEBI:25407 alt_id: CHEBI:6984 def: "Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group." [] subset: 3_STAR synonym: "monosacarido" RELATED [ChEBI] synonym: "monosacaridos" RELATED [IUPAC] synonym: "Monosaccharid" RELATED [ChEBI] synonym: "Monosaccharide" EXACT [KEGG_COMPOUND] synonym: "monosaccharide" EXACT [UniProt] synonym: "monosaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Monosacharid" RELATED [ChEBI] xref: KEGG:C06698 is_a: CHEBI:16646 ! carbohydrate property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35390 name: galactarate(1-) namespace: chebi_ontology def: "A dicarboxylic acid monoanion that is the conjugate base of galactaric acid." [] subset: 3_STAR synonym: "(2R,3S,4R,5S)-5-carboxy-2,3,4,5-tetrahydroxypentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "209.030" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "209.13086" RELATED MASS [ChEBI] synonym: "C6H9O8" RELATED FORMULA [ChEBI] synonym: "DSLZVSRJTYRBFB-DUHBMQHGSA-M" RELATED InChIKey [ChEBI] synonym: "hydrogen meso-galactarate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-1/t1-,2+,3+,4-" RELATED InChI [ChEBI] synonym: "O[C@H]([C@H](O)[C@@H](O)C([O-])=O)[C@H](O)C(O)=O" RELATED SMILES [ChEBI] is_a: CHEBI:35695 ! dicarboxylic acid monoanion is_a: CHEBI:48871 ! galactaric acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16537 ! galactarate(2-) [Term] id: CHEBI:35391 name: aspartate(1-) namespace: chebi_ontology alt_id: CHEBI:22659 alt_id: CHEBI:29992 def: "An alpha-amino-acid anion that is the conjugate base of aspartic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "132.030" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.09478" RELATED MASS [ChEBI] synonym: "2-ammoniobutanedioate" RELATED [IUPAC] synonym: "2-ammoniosuccinate" RELATED [ChEBI] synonym: "[NH3+]C(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "aspartate(1-)" EXACT [JCBN] synonym: "aspartic acid monoanion" RELATED [JCBN] synonym: "C4H6NO4" RELATED FORMULA [ChEBI] synonym: "CKLJMWTZIZZHCS-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "hydrogen aspartate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1" RELATED InChI [ChEBI] is_a: CHEBI:132943 ! aspartate relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:29995 ! aspartate(2-) [Term] id: CHEBI:35392 name: glucarate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "C6H9O8" RELATED FORMULA [ChEBI] synonym: "hydrogen glucarate" EXACT IUPAC_NAME [IUPAC] synonym: "saccharate" RELATED [ChEBI] synonym: "saccharate(1-)" RELATED [ChEBI] is_a: CHEBI:48914 ! glucaric acid anion relationship: is_conjugate_acid_of CHEBI:30613 ! glucarate(2-) relationship: is_conjugate_base_of CHEBI:17301 ! glucaric acid [Term] id: CHEBI:35397 name: tartrate(1-) namespace: chebi_ontology def: "A 3-carboxy-2,3-dihydroxypropanoate that is the conjugate base of tartaric acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "149.07890" RELATED MASS [ChEBI] synonym: "C4H5O6" RELATED FORMULA [ChEBI] synonym: "rel-(2R,3R)-3-carboxy-2,3-dihydroxypropanoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:48929 ! 3-carboxy-2,3-dihydroxypropanoate relationship: is_conjugate_acid_of CHEBI:15193 ! tartrate(2-) relationship: is_conjugate_base_of CHEBI:26849 ! tartaric acid [Term] id: CHEBI:35398 name: L-tartrate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "(2R,3R)-3-carboxy-2,3-dihydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "149.009" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "149.07890" RELATED MASS [ChEBI] synonym: "C4H5O6" RELATED FORMULA [ChEBI] synonym: "FEWJPZIEWOKRBE-JCYAYHJZSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1/t1-,2-/m1/s1" RELATED InChI [ChEBI] synonym: "O[C@H]([C@@H](O)C([O-])=O)C(O)=O" RELATED SMILES [ChEBI] is_a: CHEBI:35397 ! tartrate(1-) relationship: is_conjugate_acid_of CHEBI:30924 ! L-tartrate(2-) relationship: is_conjugate_base_of CHEBI:15671 ! L-tartaric acid relationship: is_enantiomer_of CHEBI:35399 ! D-tartrate(1-) [Term] id: CHEBI:35399 name: D-tartrate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "(2S,3S)-3-carboxy-2,3-dihydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "149.009" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "149.07890" RELATED MASS [ChEBI] synonym: "C4H5O6" RELATED FORMULA [ChEBI] synonym: "FEWJPZIEWOKRBE-LWMBPPNESA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1/t1-,2-/m0/s1" RELATED InChI [ChEBI] synonym: "O[C@@H]([C@H](O)C([O-])=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:3905888 "Beilstein" xref: Gmelin:326915 "Gmelin" xref: MetaCyc:D-TARTRATE is_a: CHEBI:35397 ! tartrate(1-) relationship: is_conjugate_acid_of CHEBI:30927 ! D-tartrate(2-) relationship: is_conjugate_base_of CHEBI:15672 ! D-tartaric acid relationship: is_enantiomer_of CHEBI:35398 ! L-tartrate(1-) [Term] id: CHEBI:35400 name: meso-tartrate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "149.009" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "149.07890" RELATED MASS [ChEBI] synonym: "[H+].O[C@@H]([C@@H](O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C4H5O6" RELATED FORMULA [ChEBI] synonym: "FEWJPZIEWOKRBE-XIXRPRMCSA-M" RELATED InChIKey [ChEBI] synonym: "hydrogen (2R,3S)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1/t1-,2+" RELATED InChI [ChEBI] synonym: "rel-(2R,3S)-3-carboxy-2,3-dihydroxypropanoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:48929 ! 3-carboxy-2,3-dihydroxypropanoate relationship: is_conjugate_acid_of CHEBI:30928 ! meso-tartrate(2-) relationship: is_conjugate_base_of CHEBI:15673 ! meso-tartaric acid [Term] id: CHEBI:35405 name: transition element oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "transition element oxoanions" RELATED [ChEBI] synonym: "transition metal oxoanion" RELATED [ChEBI] synonym: "transition metal oxoanions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:33861 ! transition element coordination entity is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:35406 name: oxoanion namespace: chebi_ontology alt_id: CHEBI:33274 alt_id: CHEBI:33436 def: "An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen." [] subset: 3_STAR synonym: "oxoacid anions" RELATED [ChEBI] synonym: "oxoanion" EXACT [ChEBI] synonym: "oxoanions" RELATED [ChEBI] is_a: CHEBI:25741 ! oxide is_a: CHEBI:33273 ! polyatomic anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35410 name: primary diamine namespace: chebi_ontology alt_id: CHEBI:26264 alt_id: CHEBI:8408 def: "A primary diamine is a compound derived from a hydrocarbon by replacing two hydrogen atoms by amino groups." [] subset: 3_STAR synonym: "32.037" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "H4N2R" RELATED FORMULA [ChEBI] synonym: "N[*]N" RELATED SMILES [ChEBI] synonym: "Primary diamine" EXACT [KEGG_COMPOUND] synonym: "primary diamines" EXACT IUPAC_NAME [IUPAC] synonym: "primary diamines" RELATED [ChEBI] xref: KEGG:C02311 is_a: CHEBI:23666 ! diamine [Term] id: CHEBI:35411 name: alkane-alpha,omega-diamine namespace: chebi_ontology alt_id: CHEBI:10204 alt_id: CHEBI:13775 alt_id: CHEBI:13808 alt_id: CHEBI:22316 alt_id: CHEBI:2577 def: "A primary diamine that is ethane or a higher alkane in which a hydrogen of each of the terminal methyl groups has been replaced by an amino group. H2NCH2(CH2)nCH2NH2, where n = 0, 1, 2, etc." [] subset: 3_STAR synonym: "(CH2)n.C2H8N2" RELATED FORMULA [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "Alkane-alpha,omega-diamine" EXACT [KEGG_COMPOUND] synonym: "alkane-alpha,omega-diamines" RELATED [ChEBI] synonym: "alpha,omega-Diamine" RELATED [KEGG_COMPOUND] synonym: "H4N2(CH2)n" RELATED FORMULA [KEGG_COMPOUND] xref: KEGG:C02896 xref: KEGG:C03687 is_a: CHEBI:35410 ! primary diamine is_a: CHEBI:46687 ! diazaalkane relationship: is_conjugate_base_of CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) [Term] id: CHEBI:35418 name: N-acetylneuraminate namespace: chebi_ontology alt_id: CHEBI:12471 alt_id: CHEBI:12579 alt_id: CHEBI:21617 alt_id: CHEBI:33987 def: "A ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "308.098" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "308.26196" RELATED MASS [ChEBI] synonym: "5-acetamido-3,5-dideoxy-D-galacto-non-2-ulopyranosonate" EXACT IUPAC_NAME [IUPAC] synonym: "5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C([O-])=O)[C@H](O)[C@H](O)CO" RELATED SMILES [ChEBI] synonym: "C11H18NO9" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,7+,8+,9+,11?/m0/s1" RELATED InChI [ChEBI] synonym: "N-acetylneuraminate" EXACT [UniProt] synonym: "sialate" RELATED [MetaCyc] synonym: "SQVRNKJHWKZAKO-LUWBGTNYSA-M" RELATED InChIKey [ChEBI] xref: MetaCyc:N-ACETYLNEURAMINATE xref: Reaxys:9227329 "Reaxys" is_a: CHEBI:21619 ! N-acetylneuraminates relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17012 ! N-acetylneuraminic acid [Term] id: CHEBI:35427 name: ortho-fused polycyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused polycyclic hydrocarbon" EXACT [ChEBI] synonym: "ortho-fused polycyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33637 ! ortho-fused compound [Term] id: CHEBI:35438 name: nickel coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "nickel coordination compounds" RELATED [ChEBI] synonym: "nickel coordination entities" RELATED [ChEBI] synonym: "nickel coordination entity" EXACT [ChEBI] is_a: CHEBI:33748 ! nickel molecular entity [Term] id: CHEBI:35441 name: antiinfective agent namespace: chebi_ontology def: "A substance used in the prophylaxis or therapy of infectious diseases." [] subset: 3_STAR synonym: "anti-infective agents" RELATED [ChEBI] synonym: "anti-infective drugs" RELATED [ChEBI] synonym: "antiinfective agents" RELATED [ChEBI] synonym: "antiinfective drug" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35442 name: antiparasitic agent namespace: chebi_ontology def: "A substance used to treat or prevent parasitic infections." [] subset: 3_STAR synonym: "antiparasitic drugs" RELATED [ChEBI] synonym: "antiparasitics" RELATED [ChEBI] synonym: "parasiticides" RELATED [ChEBI] xref: Wikipedia:Antiparasitic is_a: CHEBI:35441 ! antiinfective agent [Term] id: CHEBI:35443 name: anthelminthic drug namespace: chebi_ontology def: "Substance intended to kill parasitic worms (helminths)." [] subset: 3_STAR synonym: "anthelminthic" EXACT IUPAC_NAME [IUPAC] synonym: "anthelminthics" RELATED [ChEBI] synonym: "anthelmintic" RELATED [IUPAC] synonym: "anthelmintics" RELATED [ChEBI] synonym: "antihelminth" RELATED [ChEBI] synonym: "antihelmintico" RELATED [ChEBI] is_a: CHEBI:35442 ! antiparasitic agent [Term] id: CHEBI:35456 name: cadmium dichloride namespace: chebi_ontology def: "A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "183.31640" RELATED MASS [ChEBI] synonym: "183.841" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[CdCl2]" RELATED [MolBase] synonym: "Caddy" RELATED [ChemIDplus] synonym: "cadmium chloride" RELATED [ChemIDplus] synonym: "cadmium dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium(2+) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium(II) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "CdCl2" RELATED FORMULA [ChEBI] synonym: "CdCl2" RELATED [IUPAC] synonym: "Cl[Cd]Cl" RELATED SMILES [ChEBI] synonym: "Dichlorocadmium" RELATED [ChemIDplus] synonym: "InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2" RELATED InChI [ChEBI] synonym: "Kadmiumchlorid" RELATED [NIST_Chemistry_WebBook] synonym: "YKYOUMDCQGMQQO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] xref: CAS:10108-64-2 "KEGG COMPOUND" xref: Gmelin:912918 "Gmelin" xref: KEGG:C15233 xref: LINCS:LSM-37028 xref: MolBase:1667 xref: PMID:23804459 "Europe PMC" xref: PMID:25042713 "Europe PMC" xref: PMID:25509961 "Europe PMC" xref: PMID:25717432 "Europe PMC" xref: Wikipedia:Cadmium_chloride is_a: CHEBI:36565 ! cadmium coordination entity [Term] id: CHEBI:35458 name: cerium trichloride namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "244.812" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "246.47410" RELATED MASS [ChEBI] synonym: "[CeCl3]" RELATED [ChEBI] synonym: "CeCl3" RELATED FORMULA [ChEBI] synonym: "CeCl3" RELATED [IUPAC] synonym: "cerium chloride" RELATED [NIST_Chemistry_WebBook] synonym: "cerium trichloride" EXACT IUPAC_NAME [IUPAC] synonym: "cerium(3+) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "cerium(III) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "cerous chloride" RELATED [ChemIDplus] synonym: "cerous(III) chloride" RELATED [ChemIDplus] synonym: "Cl[Ce](Cl)Cl" RELATED SMILES [ChEBI] synonym: "InChI=1S/Ce.3ClH/h;3*1H/q+3;;;/p-3" RELATED InChI [ChEBI] synonym: "trichloridocerium" EXACT IUPAC_NAME [IUPAC] synonym: "VYLVYHXQOHJDJL-UHFFFAOYSA-K" RELATED InChIKey [ChEBI] xref: CAS:11098-86-5 "ChemIDplus" xref: CAS:7790-86-5 "ChemIDplus" xref: colombos:CeCl3 xref: Gmelin:1828 "Gmelin" is_a: CHEBI:37262 ! cerium coordination entity [Term] id: CHEBI:35469 name: antidepressant namespace: chebi_ontology def: "Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions." [] subset: 3_STAR synonym: "antidepressant drugs" RELATED [ChEBI] synonym: "antidepressants" RELATED [ChEBI] synonym: "thymoanaleptics" RELATED [ChEBI] synonym: "thymoleptic drugs" RELATED [ChEBI] synonym: "thymoleptics" RELATED [ChEBI] is_a: CHEBI:35471 ! psychotropic drug [Term] id: CHEBI:35470 name: central nervous system drug namespace: chebi_ontology def: "A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system." [] subset: 3_STAR synonym: "central nervous system agents" RELATED [ChEBI] synonym: "CNS agent" RELATED [ChEBI] synonym: "CNS drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35471 name: psychotropic drug namespace: chebi_ontology def: "A loosely defined grouping of drugs that have effects on psychological function." [] subset: 3_STAR synonym: "psychoactive agent" RELATED [ChEBI] synonym: "psychoactive drugs" RELATED [ChEBI] synonym: "psychopharmaceuticals" RELATED [ChEBI] synonym: "psychotropic drugs" RELATED [ChEBI] xref: Wikipedia:Psychotropic_drug is_a: CHEBI:35470 ! central nervous system drug [Term] id: CHEBI:35472 name: anti-inflammatory drug namespace: chebi_ontology def: "A substance that reduces or suppresses inflammation." [] subset: 3_STAR synonym: "anti-inflammatory drugs" RELATED [ChEBI] synonym: "antiinflammatory agent" RELATED [ChEBI] synonym: "antiinflammatory drug" RELATED [ChEBI] synonym: "antiinflammatory drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:67079 ! anti-inflammatory agent [Term] id: CHEBI:35479 name: alkali metal salt namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal salts" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:33296 ! alkali metal molecular entity [Term] id: CHEBI:35480 name: analgesic namespace: chebi_ontology def: "An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms." [] subset: 3_STAR is_a: CHEBI:23888 ! drug is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:35481 name: non-narcotic analgesic namespace: chebi_ontology def: "A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors." [] subset: 3_STAR is_a: CHEBI:35480 ! analgesic [Term] id: CHEBI:35488 name: central nervous system depressant namespace: chebi_ontology def: "A loosely defined group of drugs that tend to reduce the activity of the central nervous system." [] subset: 3_STAR synonym: "central nervous system depressants" RELATED [ChEBI] synonym: "CNS depressants" RELATED [ChEBI] is_a: CHEBI:35470 ! central nervous system drug [Term] id: CHEBI:35507 name: natural product fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "natural product fundamental parents" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33245 ! organic fundamental parent [Term] id: CHEBI:35508 name: steroid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "steroid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid is_a: CHEBI:35507 ! natural product fundamental parent [Term] id: CHEBI:35519 name: cholane namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "330.329" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "330.59028" RELATED MASS [ChEBI] synonym: "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC" RELATED SMILES [ChEBI] synonym: "C24H42" RELATED FORMULA [ChEBI] synonym: "cholane" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18?,19+,20-,21+,22+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "QSHQKIURKJITMZ-BRPMRXRMSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:35508 ! steroid fundamental parent [Term] id: CHEBI:35523 name: bronchodilator agent namespace: chebi_ontology def: "An agent that causes an increase in the expansion of a bronchus or bronchial tubes." [] subset: 3_STAR synonym: "bronchodilator" RELATED [ChEBI] synonym: "bronchodilator agents" RELATED [ChEBI] synonym: "broncholytic agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35526 name: hypoglycemic agent namespace: chebi_ontology def: "A drug which lowers the blood glucose level." [] subset: 3_STAR synonym: "antidiabetic" RELATED [ChEBI] synonym: "antihyperglycemic" RELATED [ChEBI] synonym: "antihyperglycemic agent" RELATED [ChEBI] synonym: "antihyperglycemic agents" RELATED [ChEBI] synonym: "antihyperglycemic drug" RELATED [ChEBI] synonym: "antihyperglycemic drugs" RELATED [ChEBI] synonym: "antihyperglycemics" RELATED [ChEBI] synonym: "hypoglycemic agents" RELATED [ChEBI] synonym: "hypoglycemic drug" RELATED [ChEBI] synonym: "hypoglycemic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35544 name: EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor namespace: chebi_ontology def: "A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes." [] subset: 3_STAR synonym: "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "(PG)H synthase inhibitor" RELATED [ChEBI] synonym: "(PG)H synthase inhibitors" RELATED [ChEBI] synonym: "COX inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase (EC 1.14.99.1) inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase (EC 1.14.99.1) inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase inhibitors" RELATED [ChEBI] synonym: "EC 1.14.99.1 (cyclooxygenase) inhibitor" RELATED [ChEBI] synonym: "EC 1.14.99.1 (cyclooxygenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.99.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.99.1 inhibitors" RELATED [ChEBI] synonym: "fatty acid cyclooxygenase inhibitor" RELATED [ChEBI] synonym: "fatty acid cyclooxygenase inhibitors" RELATED [ChEBI] synonym: "PG synthetase inhibitor" RELATED [ChEBI] synonym: "PG synthetase inhibitors" RELATED [ChEBI] synonym: "prostaglandin endoperoxide synthetase inhibitor" RELATED [ChEBI] synonym: "prostaglandin endoperoxide synthetase inhibitors" RELATED [ChEBI] synonym: "prostaglandin G/H synthase inhibitor" RELATED [ChEBI] synonym: "prostaglandin G/H synthase inhibitors" RELATED [ChEBI] synonym: "prostaglandin synthase inhibitor" RELATED [ChEBI] synonym: "prostaglandin synthase inhibitors" RELATED [ChEBI] synonym: "prostaglandin synthetase inhibitor" RELATED [ChEBI] synonym: "prostaglandin synthetase inhibitors" RELATED [ChEBI] is_a: CHEBI:76840 ! EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:35545 name: bipyridine namespace: chebi_ontology subset: 3_STAR synonym: "Bipyridin" RELATED [ChEBI] synonym: "bipyridine" EXACT IUPAC_NAME [IUPAC] synonym: "bipyridyl" RELATED [IUPAC] synonym: "C10H8N2" RELATED FORMULA [ChEBI] is_a: CHEBI:50511 ! bipyridines [Term] id: CHEBI:35552 name: heterocyclic organic fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "heterocyclic fundamental parent" RELATED [ChEBI] synonym: "heterocyclic organic fundamental parents" RELATED [ChEBI] synonym: "heterocyclic parent hydrides" EXACT IUPAC_NAME [IUPAC] synonym: "organic heterocyclic fundamental parents" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent [Term] id: CHEBI:35554 name: cardiovascular drug namespace: chebi_ontology def: "A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume." [] subset: 3_STAR synonym: "cardiovascular agent" RELATED [ChEBI] synonym: "cardiovascular drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35555 name: mancude organic heteromonocyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heteromonocyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heteromonocyclic parents" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:35571 ! mancude organic heterocyclic parent [Term] id: CHEBI:35556 name: pyrrole namespace: chebi_ontology def: "A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'." [] subset: 3_STAR synonym: "C4H5N" RELATED FORMULA [ChEBI] synonym: "pyrrole" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:26455 ! pyrroles is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent [Term] id: CHEBI:35557 name: 3H-pyrrole namespace: chebi_ontology def: "That one of the three tautomers of pyrrole which has the double bonds at positions 1 and 4." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3H-pyrrole" EXACT IUPAC_NAME [IUPAC] synonym: "67.042" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "67.08924" RELATED MASS [ChEBI] synonym: "C1C=CN=C1" RELATED SMILES [ChEBI] synonym: "C4H5N" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H5N/c1-2-4-5-3-1/h1,3-4H,2H2" RELATED InChI [ChEBI] synonym: "VXIKDBJPBRMXBP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:35556 ! pyrrole relationship: is_tautomer_of CHEBI:19203 ! 1H-pyrrole relationship: is_tautomer_of CHEBI:35558 ! 2H-pyrrole [Term] id: CHEBI:35558 name: 2H-pyrrole namespace: chebi_ontology def: "That one of the three tautomers of pyrrole which has the double bonds at positions 1 and 3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2H-pyrrole" EXACT IUPAC_NAME [IUPAC] synonym: "67.042" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "67.08924" RELATED MASS [ChEBI] synonym: "C1C=CC=N1" RELATED SMILES [ChEBI] synonym: "C4H5N" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2" RELATED InChI [ChEBI] synonym: "JZIBVTUXIVIFGC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1633591 "Beilstein" is_a: CHEBI:35556 ! pyrrole relationship: is_tautomer_of CHEBI:19203 ! 1H-pyrrole relationship: is_tautomer_of CHEBI:35557 ! 3H-pyrrole [Term] id: CHEBI:35559 name: furan namespace: chebi_ontology alt_id: CHEBI:30855 alt_id: CHEBI:34767 def: "A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,4-epoxy-1,3-butadiene" RELATED [ChemIDplus] synonym: "68.026" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "68.07400" RELATED MASS [ChEBI] synonym: "c1ccoc1" RELATED SMILES [ChEBI] synonym: "C4H4O" RELATED FORMULA [ChEBI] synonym: "divinylene oxide" RELATED [ChemIDplus] synonym: "Furan" EXACT [KEGG_COMPOUND] synonym: "furan" EXACT IUPAC_NAME [IUPAC] synonym: "furane" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" RELATED InChI [ChEBI] synonym: "oxacyclopentadiene" RELATED [ChemIDplus] synonym: "oxole" RELATED [NIST_Chemistry_WebBook] synonym: "tetrole" RELATED [ChemIDplus] synonym: "YLQBMQCUIZJEEH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:103221 "Beilstein" xref: CAS:110-00-9 "KEGG COMPOUND" xref: Gmelin:25716 "Gmelin" xref: HMDB:HMDB13785 xref: KEGG:C14275 xref: LINCS:LSM-37156 xref: PMID:16006568 "Europe PMC" xref: PMID:17224250 "Europe PMC" xref: PMID:22079235 "Europe PMC" xref: PMID:22542513 "Europe PMC" xref: PMID:22641279 "Europe PMC" xref: PMID:22865590 "Europe PMC" xref: PMID:9169064 "Europe PMC" xref: Reaxys:103221 "Reaxys" xref: Wikipedia:Furan is_a: CHEBI:24129 ! furans is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent is_a: CHEBI:38179 ! monocyclic heteroarene relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50908 ! hepatotoxic agent relationship: has_role CHEBI:77523 ! Maillard reaction product [Term] id: CHEBI:35568 name: mancude ring namespace: chebi_ontology def: "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." [] subset: 3_STAR synonym: "mancude rings" RELATED [ChEBI] synonym: "mancude-ring systems" EXACT IUPAC_NAME [IUPAC] synonym: "mancunide-ring systems" RELATED [IUPAC] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:35570 name: mancude organic heterobicyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heterobicyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heterobicyclic parents" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:35571 ! mancude organic heterocyclic parent [Term] id: CHEBI:35571 name: mancude organic heterocyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heterocyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heterocyclic parents" RELATED [ChEBI] is_a: CHEBI:35552 ! heterocyclic organic fundamental parent is_a: CHEBI:35573 ! organic mancude parent [Term] id: CHEBI:35573 name: organic mancude parent namespace: chebi_ontology subset: 3_STAR synonym: "organic mancude parents" RELATED [ChEBI] synonym: "organic mancude-ring parents" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent is_a: CHEBI:35568 ! mancude ring [Term] id: CHEBI:35580 name: N-oxide namespace: chebi_ontology subset: 3_STAR synonym: "N-oxide" EXACT [ChEBI] synonym: "N-oxides" RELATED [ChEBI] is_a: CHEBI:25741 ! oxide [Term] id: CHEBI:35581 name: indole namespace: chebi_ontology def: "Either of two isomeric forms comprising a benzene ring fused to a pyrrole ring." [] subset: 3_STAR synonym: "C8H7N" RELATED FORMULA [ChEBI] synonym: "indole" EXACT IUPAC_NAME [IUPAC] xref: colombos:INDOLE xref: HMDB:HMDB00738 xref: PMID:24563545 "Europe PMC" xref: PMID:24695245 "Europe PMC" xref: Wikipedia:Indole is_a: CHEBI:24828 ! indoles is_a: CHEBI:35570 ! mancude organic heterobicyclic parent is_a: CHEBI:52362 ! ortho-fused heteroarene relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:35584 name: purine namespace: chebi_ontology def: "A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines." [] subset: 3_STAR synonym: "C5H4N4" RELATED FORMULA [ChEBI] synonym: "purine" EXACT IUPAC_NAME [IUPAC] xref: HMDB:HMDB01366 xref: KEGG:C15587 xref: MetaCyc:PURINE xref: PMID:12865945 "Europe PMC" xref: PMID:24088627 "Europe PMC" is_a: CHEBI:26401 ! purines is_a: CHEBI:35570 ! mancude organic heterobicyclic parent relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:35586 name: 1H-purine namespace: chebi_ontology def: "The 1H-tautomer of purine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "120.044" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.11210" RELATED MASS [ChEBI] synonym: "1H-purine" EXACT [ChEBI] synonym: "c1nc2c[nH]cnc2n1" RELATED SMILES [ChEBI] synonym: "C5H4N4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" RELATED InChI [ChEBI] synonym: "KDCGOANMDULRCW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Gmelin:2379911 "Gmelin" is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine [Term] id: CHEBI:35588 name: 3H-purine namespace: chebi_ontology def: "The 3H-tautomer of purine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "120.044" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.11222" RELATED MASS [ChEBI] synonym: "3H-purine" EXACT IUPAC_NAME [IUPAC] synonym: "c1nc2cnc[nH]c2n1" RELATED SMILES [ChEBI] synonym: "C5H4N4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" RELATED InChI [ChEBI] synonym: "KDCGOANMDULRCW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: PMID:6149478 "Europe PMC" xref: PMID:7178185 "Europe PMC" xref: PMID:7296170 "Europe PMC" xref: Reaxys:1210196 "Reaxys" is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine [Term] id: CHEBI:35589 name: 9H-purine namespace: chebi_ontology def: "The 9H-tautomer of purine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "120.044" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.11222" RELATED MASS [ChEBI] synonym: "9H-purine" EXACT IUPAC_NAME [IUPAC] synonym: "9H-purine" EXACT [UniProt] synonym: "c1ncc2nc[nH]c2n1" RELATED SMILES [ChEBI] synonym: "C5H4N4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" RELATED InChI [ChEBI] synonym: "KDCGOANMDULRCW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:606899 "Beilstein" xref: CAS:120-73-0 "NIST Chemistry WebBook" xref: Gmelin:3120 "Gmelin" xref: Wikipedia:Purine is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine [Term] id: CHEBI:35604 name: carbon oxoanion namespace: chebi_ontology def: "A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n." [] subset: 3_STAR synonym: "carbon oxoanion" EXACT [ChEBI] synonym: "carbon oxoanions" RELATED [ChEBI] synonym: "oxocarbon anion" RELATED [ChEBI] synonym: "oxocarbon anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:35605 name: carbon oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "carbon oxoacids" RELATED [ChEBI] synonym: "oxoacids of carbon" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35610 name: antineoplastic agent namespace: chebi_ontology def: "A substance that inhibits or prevents the proliferation of neoplasms." [] subset: 3_STAR synonym: "anticancer agent" RELATED [ChEBI] synonym: "anticancer agents" RELATED [ChEBI] synonym: "antineoplastic" RELATED [ChEBI] synonym: "antineoplastic agents" RELATED [ChEBI] synonym: "cytostatic" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35617 name: flavouring agent namespace: chebi_ontology def: "A food additive that is used to added improve the taste or odour of a food." [] subset: 3_STAR synonym: "flavoring agent" RELATED [ChEBI] synonym: "flavoring agents" RELATED [ChEBI] synonym: "flavour enhancer" RELATED [ChEBI] synonym: "flavour enhancers" RELATED [ChEBI] synonym: "flavouring agents" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:35618 name: aromatic ether namespace: chebi_ontology def: "Any ether in which the oxygen is attached to at least one aryl substituent." [] subset: 3_STAR is_a: CHEBI:25698 ! ether is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:35620 name: vasodilator agent namespace: chebi_ontology def: "A drug used to cause dilation of the blood vessels." [] subset: 3_STAR synonym: "vasodilator" RELATED [ChEBI] synonym: "vasodilator agents" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:35623 name: anticonvulsant namespace: chebi_ontology def: "A drug used to prevent seizures or reduce their severity." [] subset: 3_STAR synonym: "anti-convulsant" RELATED [ChEBI] synonym: "anti-convulsants" RELATED [ChEBI] synonym: "anti-convulsive agent" RELATED [ChEBI] synonym: "anti-convulsive agents" RELATED [ChEBI] synonym: "anticonvulsants" RELATED [ChEBI] synonym: "anticonvulsive agent" RELATED [ChEBI] synonym: "anticonvulsive agents" RELATED [ChEBI] synonym: "antiepileptic" RELATED [ChEBI] synonym: "antiepileptics" RELATED [ChEBI] synonym: "Antiepileptika" RELATED [ChEBI] synonym: "Antiepileptikum" RELATED [ChEBI] synonym: "antiepileptique" RELATED [ChEBI] synonym: "antiepileptiques" RELATED [ChEBI] synonym: "Antikonvulsiva" RELATED [ChEBI] synonym: "Antikonvulsivum" RELATED [ChEBI] is_a: CHEBI:35488 ! central nervous system depressant [Term] id: CHEBI:35627 name: beta-lactam namespace: chebi_ontology alt_id: CHEBI:10426 alt_id: CHEBI:22845 def: "A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon." [] subset: 3_STAR synonym: "beta-Lactam" EXACT [KEGG_COMPOUND] synonym: "beta-lactams" RELATED [ChEBI] xref: KEGG:C01866 xref: Wikipedia:Beta-lactam is_a: CHEBI:24995 ! lactam [Term] id: CHEBI:35662 name: terpenoid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "terpenoid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35507 ! natural product fundamental parent [Term] id: CHEBI:35674 name: antihypertensive agent namespace: chebi_ontology def: "Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism." [] subset: 3_STAR synonym: "antihypertensive" RELATED [ChEBI] synonym: "antihypertensive agents" RELATED [ChEBI] synonym: "antihypertensive drug" RELATED [ChEBI] synonym: "antihypertensive drugs" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:35692 name: dicarboxylic acid namespace: chebi_ontology alt_id: CHEBI:23692 alt_id: CHEBI:36172 alt_id: CHEBI:4501 def: "Any carboxylic acid containing two carboxy groups." [] subset: 3_STAR synonym: "Dicarboxylic acid" EXACT [KEGG_COMPOUND] synonym: "dicarboxylic acids" RELATED [ChEBI] xref: KEGG:C02028 is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35693 ! dicarboxylic acid anion [Term] id: CHEBI:35693 name: dicarboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "dicarboxylic acid anion" EXACT [ChEBI] synonym: "dicarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:35695 name: dicarboxylic acid monoanion namespace: chebi_ontology def: "Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid." [] subset: 3_STAR synonym: "dicarboxylic acid monoanions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] id: CHEBI:35701 name: ester namespace: chebi_ontology alt_id: CHEBI:23960 alt_id: CHEBI:4859 def: "A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter." [] subset: 3_STAR synonym: "Ester" EXACT [KEGG_COMPOUND] synonym: "esters" RELATED [ChEBI] xref: KEGG:C00287 xref: Wikipedia:Ester is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:35703 name: xenobiotic namespace: chebi_ontology alt_id: CHEBI:10074 alt_id: CHEBI:27333 def: "A xenobiotic (Greek, xenos \"foreign\"; bios \"life\") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means." [] subset: 3_STAR synonym: "Xenobiotic" EXACT [KEGG_COMPOUND] synonym: "xenobiotic" EXACT IUPAC_NAME [IUPAC] synonym: "xenobiotic compounds" RELATED [ChEBI] synonym: "xenobiotics" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C06708 xref: Wikipedia:Xenobiotic is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:35711 name: ursane namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "412.407" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "412.73388" RELATED MASS [ChEBI] synonym: "[H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C)[C@H](C)[C@@]21[H]" RELATED SMILES [ChEBI] synonym: "C30H52" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C30H52/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t20-,21+,22-,23+,24-,25+,27-,28+,29-,30-/m1/s1" RELATED InChI [ChEBI] synonym: "OOTXFYSZXCPMPG-BMYLZFHVSA-N" RELATED InChIKey [ChEBI] synonym: "ursane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3207208 "Beilstein" is_a: CHEBI:35191 ! triterpene is_a: CHEBI:35662 ! terpenoid fundamental parent [Term] id: CHEBI:35715 name: nitro compound namespace: chebi_ontology def: "A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied)." [] subset: 3_STAR synonym: "nitro compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_part CHEBI:29785 ! nitro group [Term] id: CHEBI:35716 name: C-nitro compound namespace: chebi_ontology def: "A nitro compound having the nitro group (-NO2) attached to a carbon atom." [] subset: 3_STAR synonym: "C-nitro compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35715 ! nitro compound relationship: is_tautomer_of CHEBI:136622 ! aci-nitro compound [Term] id: CHEBI:35717 name: sedative namespace: chebi_ontology def: "A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety." [] subset: 3_STAR synonym: "hypnotics" RELATED [ChEBI] synonym: "hypnotics and sedatives" RELATED [ChEBI] synonym: "sedative drug" RELATED [ChEBI] synonym: "sedatives" RELATED [ChEBI] synonym: "sedatives and hypnotics" RELATED [ChEBI] is_a: CHEBI:35488 ! central nervous system depressant [Term] id: CHEBI:35718 name: antifungal agent namespace: chebi_ontology def: "An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce." [] subset: 3_STAR synonym: "antifungal" RELATED [ChEBI] synonym: "antifungal agents" RELATED [ChEBI] synonym: "antifungal drug" RELATED [ChEBI] synonym: "antifungal drugs" RELATED [ChEBI] synonym: "antifungals" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:35720 name: enrofloxacin namespace: chebi_ontology def: "A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "359.165" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "359.395" RELATED MASS [ChEBI] synonym: "Baytril" RELATED [ChemIDplus] synonym: "C19H22FN3O3" RELATED FORMULA [ChEBI] synonym: "C1=C(C(=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)F)N4CCN(CC4)CC" RELATED SMILES [ChEBI] synonym: "Enrofloxacin" EXACT [ChemIDplus] synonym: "InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)" RELATED InChI [ChEBI] synonym: "SPFYMRJSYKOXGV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:93106-60-6 "ChemIDplus" xref: colombos:ENROFLOXACINE xref: Drug_Central:1017 "DrugCentral" xref: HMDB:HMDB29861 xref: KEGG:D02473 xref: LINCS:LSM-3709 xref: Patent:KR20130080422 xref: Patent:RU2491922 xref: Patent:US4659603 xref: PMID:15967281 "Europe PMC" xref: PMID:19376344 "Europe PMC" xref: PMID:24380725 "Europe PMC" xref: PMID:26963935 "Europe PMC" xref: PMID:8828132 "Europe PMC" xref: Reaxys:5307824 "Reaxys" xref: Wikipedia:Enrofloxacin is_a: CHEBI:23765 ! quinolone is_a: CHEBI:26512 ! quinolinemonocarboxylic acid is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:46845 ! N-alkylpiperazine is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:51454 ! cyclopropanes relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] id: CHEBI:35728 name: lanthanoid coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "lanthanoid coordination compounds" RELATED [ChEBI] synonym: "lanthanoid coordination entities" RELATED [ChEBI] synonym: "lanthanoid coordination entity" EXACT [ChEBI] is_a: CHEBI:33775 ! lanthanoid molecular entity [Term] id: CHEBI:35735 name: dicarboxylic acid monoamide namespace: chebi_ontology alt_id: CHEBI:13210 alt_id: CHEBI:23691 alt_id: CHEBI:6976 subset: 3_STAR synonym: "dicarboxylic acid monoamide" EXACT [UniProt] synonym: "dicarboxylic acid monoamides" RELATED [ChEBI] is_a: CHEBI:23690 ! dicarboxylic acid amide relationship: is_conjugate_acid_of CHEBI:77450 ! dicarboxylic acid monoamide(1-) [Term] id: CHEBI:35742 name: tetracarboxylic acid namespace: chebi_ontology def: "An oxoacid containing four carboxy groups." [] subset: 3_STAR synonym: "C4H4O8R" RELATED FORMULA [ChEBI] synonym: "tetracarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:35753 name: tricarboxylic acid anion namespace: chebi_ontology def: "Any anion of a tricarboxylic acid formed by deprotonation of at least one carboxy group." [] subset: 3_STAR synonym: "tricarboxylic acid anion" EXACT [ChEBI] synonym: "tricarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:27093 ! tricarboxylic acid [Term] id: CHEBI:35757 name: monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:13657 alt_id: CHEBI:25382 alt_id: CHEBI:3407 def: "A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "44.01000" RELATED MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "a monocarboxylate" RELATED [UniProt] synonym: "Carboxylate" RELATED [KEGG_COMPOUND] synonym: "CO2R" RELATED FORMULA [ChEBI] synonym: "Monocarboxylate" RELATED [KEGG_COMPOUND] synonym: "monocarboxylates" RELATED [ChEBI] synonym: "monocarboxylic acid anions" RELATED [ChEBI] xref: KEGG:C00060 is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:25384 ! monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.01000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35776 name: arsenic oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "arsenic oxoanion" EXACT [ChEBI] synonym: "arsenic oxoanions" RELATED [ChEBI] synonym: "oxoanions of arsenic" RELATED [ChEBI] is_a: CHEBI:22632 ! arsenic molecular entity is_a: CHEBI:33459 ! pnictogen oxoanion [Term] id: CHEBI:35780 name: phosphate ion namespace: chebi_ontology def: "A phosphorus oxoanion that is the conjugate base of phosphoric acid." [] subset: 3_STAR synonym: "phosphate" RELATED [ChEBI] synonym: "phosphate ions" RELATED [ChEBI] synonym: "Pi" RELATED [ChEBI] xref: colombos:PHOSPHATE is_a: CHEBI:33461 ! phosphorus oxoanion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:26078 ! phosphoric acid [Term] id: CHEBI:35789 name: oxo steroid namespace: chebi_ontology alt_id: CHEBI:24979 alt_id: CHEBI:25804 subset: 3_STAR synonym: "keto steroids" RELATED [ChEBI] synonym: "ketosteroids" RELATED [ChEBI] synonym: "oxo steroids" RELATED [ChEBI] synonym: "oxosteroids" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:35790 name: oxazole namespace: chebi_ontology def: "An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom." [] subset: 3_STAR synonym: "oxazole" EXACT [ChEBI] synonym: "oxazoles" RELATED [ChEBI] is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:68452 ! azole [Term] id: CHEBI:35800 name: nitroso compound namespace: chebi_ontology def: "Compounds having the nitroso group, -NO, attached to carbon, or to another element, most commonly nitrogen or oxygen." [] subset: 3_STAR synonym: "nitroso compounds" RELATED [ChEBI] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_part CHEBI:35801 ! nitroso group [Term] id: CHEBI:35801 name: nitroso group namespace: chebi_ontology subset: 3_STAR synonym: "-N=O" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "29.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "30.00614" RELATED MASS [ChEBI] synonym: "nitroso" EXACT IUPAC_NAME [IUPAC] synonym: "NO" RELATED FORMULA [ChEBI] synonym: "O=N-" RELATED [IUPAC] is_a: CHEBI:33246 ! inorganic group is_a: CHEBI:51144 ! nitrogen group [Term] id: CHEBI:35804 name: citrate(1-) namespace: chebi_ontology def: "A tricarboxylic acid monoanion that is the conjugate base of citric acid, obtained by deprotonation of one of the three carboxy groups." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "191.11558" RELATED MASS [ChEBI] synonym: "C6H7O7" RELATED FORMULA [ChEBI] synonym: "dihydrogen citrate" EXACT IUPAC_NAME [IUPAC] synonym: "H2cit" RELATED [IUPAC] synonym: "H2cit(-)" RELATED [ChEBI] is_a: CHEBI:133748 ! citrate anion is_a: CHEBI:36299 ! tricarboxylic acid monoanion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:35808 ! citrate(2-) [Term] id: CHEBI:35808 name: citrate(2-) namespace: chebi_ontology def: "A tricarboxylic acid dianion obtained by deprotonation of two of the three carboxy groups of citric acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "190.10764" RELATED MASS [ChEBI] synonym: "C6H6O7" RELATED FORMULA [ChEBI] synonym: "Hcit" RELATED [IUPAC] synonym: "Hcit(2-)" RELATED [ChEBI] synonym: "hydrogen citrate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:133748 ! citrate anion is_a: CHEBI:36300 ! tricarboxylic acid dianion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:16947 ! citrate(3-) relationship: is_conjugate_base_of CHEBI:35804 ! citrate(1-) [Term] id: CHEBI:35816 name: leprostatic drug namespace: chebi_ontology def: "A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions." [] subset: 3_STAR synonym: "leprostatic" RELATED [ChEBI] synonym: "leprostatic agent" RELATED [ChEBI] synonym: "leprostatic drugs" RELATED [ChEBI] is_a: CHEBI:64912 ! antimycobacterial drug [Term] id: CHEBI:35820 name: antiprotozoal drug namespace: chebi_ontology def: "Any antimicrobial drug which is used to treat or prevent protozoal infections." [] subset: 3_STAR synonym: "antiprotozoal agent" RELATED [ChEBI] synonym: "antiprotozoal agents" RELATED [ChEBI] synonym: "antiprotozoal drugs" RELATED [ChEBI] xref: Wikipedia:Antiprotozoal_agent is_a: CHEBI:35442 ! antiparasitic agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:35842 name: antirheumatic drug namespace: chebi_ontology def: "A drug used to treat rheumatoid arthritis." [] subset: 3_STAR synonym: "anti-rheumatic drugs" RELATED [ChEBI] synonym: "antirheumatic agent" RELATED [ChEBI] synonym: "antirheumatic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35856 name: lipoxygenase inhibitor namespace: chebi_ontology def: "A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes." [] subset: 3_STAR synonym: "lipooxygenase inhibitor" RELATED [ChEBI] synonym: "lipoxygenase inhibitors" RELATED [ChEBI] is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor [Term] id: CHEBI:35868 name: hydroxy monocarboxylic acid namespace: chebi_ontology def: "Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent." [] subset: 3_STAR synonym: "hydroxy acid" RELATED [ChEBI] synonym: "hydroxy monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:24669 ! hydroxy carboxylic acid is_a: CHEBI:25384 ! monocarboxylic acid [Term] id: CHEBI:35871 name: oxo monocarboxylic acid namespace: chebi_ontology def: "Any monocarboxylic acid having at least one additional oxo functional group." [] subset: 3_STAR synonym: "oxo monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:25754 ! oxo carboxylic acid relationship: is_conjugate_acid_of CHEBI:35902 ! oxo monocarboxylic acid anion [Term] id: CHEBI:35875 name: imidazopyrimidine namespace: chebi_ontology subset: 3_STAR synonym: "imidazopyrimidines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:35878 name: phosphanes namespace: chebi_ontology def: "The saturated hydrides of tervalent phosphorus having the general formula PnHn+2." [] subset: 3_STAR synonym: "phosphanes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35879 ! phosphorus hydride [Term] id: CHEBI:35879 name: phosphorus hydride namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus hydrides" RELATED [ChEBI] is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:35881 ! pnictogen hydride [Term] id: CHEBI:35880 name: diphosphane namespace: chebi_ontology def: "The simplest of the diphosphanes, consisting of two covelently linked phosphorus atoms each carrying two hydrogens." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "65.979" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "65.97928" RELATED MASS [ChEBI] synonym: "[H]P([H])P([H])[H]" RELATED SMILES [ChEBI] synonym: "biphosphine" RELATED [ChEBI] synonym: "diphosphane" EXACT IUPAC_NAME [IUPAC] synonym: "diphosphine" RELATED [NIST_Chemistry_WebBook] synonym: "H4P2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/H4P2/c1-2/h1-2H2" RELATED InChI [ChEBI] synonym: "P2H4" RELATED [IUPAC] synonym: "VURFVHCLMJOLKN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:13445-50-6 "ChemIDplus" xref: Reaxys:13729060 "Reaxys" xref: Wikipedia:Diphosphane is_a: CHEBI:51650 ! diphosphanes [Term] id: CHEBI:35881 name: pnictogen hydride namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen hydride" EXACT [ChEBI] synonym: "pnictogen hydrides" RELATED [ChEBI] is_a: CHEBI:33242 ! inorganic hydride is_a: CHEBI:33302 ! pnictogen molecular entity [Term] id: CHEBI:35883 name: phosphine namespace: chebi_ontology def: "Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane." [] subset: 3_STAR synonym: "fosfinas" RELATED [IUPAC] synonym: "phosphines" EXACT IUPAC_NAME [IUPAC] synonym: "phosphines" RELATED [ChEBI] xref: PMID:14629181 "Europe PMC" xref: PMID:21241104 "Europe PMC" xref: PMID:21399776 "Europe PMC" xref: PMID:21699183 "Europe PMC" xref: PMID:21714575 "Europe PMC" xref: PMID:21854058 "Europe PMC" xref: PMID:21957974 "Europe PMC" is_a: CHEBI:26082 ! phosphorus molecular entity relationship: has_role CHEBI:35223 ! catalyst [Term] id: CHEBI:35884 name: primary phosphine namespace: chebi_ontology def: "A compound derived from phosphane by substituting one hydrogen atom by a hydrocarbyl group." [] subset: 3_STAR synonym: "fosfina primaria" RELATED [IUPAC] synonym: "fosfinas primarias" RELATED [IUPAC] synonym: "phospnines primaires" RELATED [IUPAC] synonym: "primary phosphines" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35883 ! phosphine [Term] id: CHEBI:35891 name: propylphosphine namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "76.044" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "76.07730" RELATED MASS [ChEBI] synonym: "C3H9P" RELATED FORMULA [ChEBI] synonym: "CCCP" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H9P/c1-2-3-4/h2-4H2,1H3" RELATED InChI [ChEBI] synonym: "n-propylphosphine" RELATED [Patent] synonym: "NNOBHPBYUHDMQF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "propylphosphane" EXACT IUPAC_NAME [IUPAC] synonym: "PrPH2" RELATED [ChEBI] xref: Beilstein:1730775 "Beilstein" xref: Patent:CA1320105 xref: Patent:US4721683 is_a: CHEBI:35884 ! primary phosphine [Term] id: CHEBI:35902 name: oxo monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:35178 alt_id: CHEBI:35901 subset: 3_STAR synonym: "oxo monocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:35903 ! oxo carboxylic acid anion relationship: is_conjugate_base_of CHEBI:35871 ! oxo monocarboxylic acid [Term] id: CHEBI:35903 name: oxo carboxylic acid anion namespace: chebi_ontology def: "Any carboxylic acid anion containing at least one oxo group." [] subset: 3_STAR synonym: "oxo carboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:35910 name: 2-oxo monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:11634 alt_id: CHEBI:1238 alt_id: CHEBI:13195 alt_id: CHEBI:13594 alt_id: CHEBI:19736 alt_id: CHEBI:35909 def: "Any monocarboxylic acid having a 2-oxo substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-Oxo acid" RELATED [KEGG_COMPOUND] synonym: "2-oxo acid" RELATED [UniProt] synonym: "2-oxo carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxo monocarboxylic acids" RELATED [ChEBI] synonym: "2-Oxocarboxylate" RELATED [KEGG_COMPOUND] synonym: "72.993" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "73.02750" RELATED MASS [ChEBI] synonym: "C2HO3R" RELATED FORMULA [ChEBI] synonym: "OC(=O)C([*])=O" RELATED SMILES [ChEBI] xref: KEGG:C00161 is_a: CHEBI:35871 ! oxo monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] id: CHEBI:35942 name: neurotransmitter agent namespace: chebi_ontology def: "A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function." [] subset: 3_STAR synonym: "neurotransmitter agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:35969 name: 3-hydroxy monocarboxylic acid namespace: chebi_ontology def: "A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group." [] subset: 3_STAR synonym: "3-hydroxy acid" RELATED [ChEBI] synonym: "3-hydroxy monocarboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxy acid" RELATED [ChEBI] synonym: "beta-hydroxy acids" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acids" RELATED [ChEBI] is_a: CHEBI:35868 ! hydroxy monocarboxylic acid is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid [Term] id: CHEBI:35972 name: dihydroxy monocarboxylic acid namespace: chebi_ontology def: "Any hydroxy monocarboxylic acid carrying at least two hydroxy groups." [] subset: 3_STAR synonym: "dihydroxy monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:35868 ! hydroxy monocarboxylic acid [Term] id: CHEBI:35973 name: 3-oxo monocarboxylic acid anion namespace: chebi_ontology def: "An oxo monocarboxylic acid anion having the oxo group located at the 3-position (R = H or organyl group)." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "3-oxo monocarboxylic acid anions" RELATED [ChEBI] synonym: "83.985" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "84.03030" RELATED MASS [ChEBI] synonym: "[O-]C(=O)C([*])([*])C([*])=O" RELATED SMILES [ChEBI] synonym: "a 3-oxo acid" RELATED [UniProt] synonym: "C3O3R3" RELATED FORMULA [ChEBI] is_a: CHEBI:35902 ! oxo monocarboxylic acid anion [Term] id: CHEBI:35987 name: diamino acid namespace: chebi_ontology def: "Any amino acid carrying two amino groups." [] subset: 3_STAR is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:59561 ! diamino acid anion [Term] id: CHEBI:35990 name: bridged compound namespace: chebi_ontology def: "A polycyclic compound in which two rings have two or more atoms in common." [] subset: 3_STAR synonym: "bridged compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:35992 name: penams namespace: chebi_ontology def: "Natural and synthetic antibiotics containing the 4-thia-1-azabicyclo[3.2.0]heptan-7-one structure, generally assumed to have the 5R configuration unless otherwise specified." [] subset: 3_STAR synonym: "penams" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:27933 ! beta-lactam antibiotic is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:36043 name: antimicrobial drug namespace: chebi_ontology def: "A drug used to treat or prevent microbial infections." [] subset: 3_STAR synonym: "antimicrobial drugs" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent is_a: CHEBI:35441 ! antiinfective agent [Term] id: CHEBI:36044 name: antiviral drug namespace: chebi_ontology def: "A substance used in the prophylaxis or therapy of virus diseases." [] subset: 3_STAR synonym: "anti-viral drug" RELATED [ChEBI] synonym: "anti-virus drug" RELATED [ChEBI] synonym: "antiviral drugs" RELATED [ChEBI] is_a: CHEBI:22587 ! antiviral agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:36047 name: antibacterial drug namespace: chebi_ontology def: "A drug used to treat or prevent bacterial infections." [] subset: 3_STAR synonym: "antibacterial drugs" RELATED [ChEBI] xref: Wikipedia:Antibacterial is_a: CHEBI:33282 ! antibacterial agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:36059 name: hydroxy monocarboxylic acid anion namespace: chebi_ontology def: "Any monocarboxylic acid anion carrying at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxy monocarboxylic acid anions" RELATED [ChEBI] synonym: "hydroxymonocarboxylic acid anion" RELATED [ChEBI] synonym: "hydroxymonocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] id: CHEBI:36078 name: cholanoid namespace: chebi_ontology alt_id: CHEBI:22867 alt_id: CHEBI:50419 subset: 3_STAR synonym: "bile acids and derivatives" RELATED [LIPID_MAPS] synonym: "cholanoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMST04 "LIPID MAPS" is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35519 ! cholane [Term] id: CHEBI:36084 name: dihydroxybenzoate namespace: chebi_ontology def: "A hydroxybenzoate that is the conjugate base of dihydroxybenzoic acid." [] subset: 3_STAR synonym: "dihydroxybenzoate" EXACT [ChEBI] synonym: "dihydroxybenzoates" RELATED [ChEBI] is_a: CHEBI:24675 ! hydroxybenzoate relationship: is_conjugate_base_of CHEBI:23778 ! dihydroxybenzoic acid [Term] id: CHEBI:36093 name: inorganic chloride namespace: chebi_ontology subset: 3_STAR synonym: "inorganic chloride salt" RELATED [ChEBI] synonym: "inorganic chloride salts" RELATED [ChEBI] synonym: "inorganic chlorides" RELATED [ChEBI] is_a: CHEBI:23114 ! chloride salt is_a: CHEBI:24839 ! inorganic salt [Term] id: CHEBI:36094 name: organic chloride salt namespace: chebi_ontology subset: 3_STAR synonym: "organic chloride salts" RELATED [ChEBI] is_a: CHEBI:23114 ! chloride salt is_a: CHEBI:51069 ! organic halide salt [Term] id: CHEBI:36141 name: quinone namespace: chebi_ontology alt_id: CHEBI:13684 alt_id: CHEBI:26517 def: "Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included)." [] subset: 3_STAR synonym: "a quinone" RELATED [UniProt] synonym: "Chinon" RELATED [ChEBI] synonym: "quinone" EXACT [IUPAC] synonym: "quinones" EXACT IUPAC_NAME [IUPAC] synonym: "quinones" RELATED [ChEBI] xref: Wikipedia:Quinone is_a: CHEBI:3992 ! cyclic ketone [Term] id: CHEBI:36164 name: amino dicarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "amino dicarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33709 ! amino acid is_a: CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:36165 name: pimelate(2-) namespace: chebi_ontology def: "A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of pimelic acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "158.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "158.15190" RELATED MASS [ChEBI] synonym: "[O-]C(=O)CCCCCC([O-])=O" RELATED SMILES [ChEBI] synonym: "C7H10O4" RELATED FORMULA [ChEBI] synonym: "heptanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "heptanedioate" RELATED [UniProt] synonym: "InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/p-2" RELATED InChI [ChEBI] synonym: "WLJVNTCWHIRURA-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] xref: Beilstein:3905193 "Beilstein" xref: Gmelin:363895 "Gmelin" xref: MetaCyc:CPD-205 xref: Reaxys:3905193 "Reaxys" is_a: CHEBI:133773 ! pimelate is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: is_conjugate_base_of CHEBI:17774 ! pimelate(1-) [Term] id: CHEBI:36180 name: butenedioate namespace: chebi_ontology alt_id: CHEBI:22956 alt_id: CHEBI:22957 subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "113.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "114.05628" RELATED MASS [ChEBI] synonym: "[H]C(=C([H])C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "but-2-enedioate" EXACT IUPAC_NAME [IUPAC] synonym: "C4H2O4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2" RELATED InChI [ChEBI] synonym: "VZCYOOQTPOCHFL-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] xref: Gmelin:874013 "Gmelin" is_a: CHEBI:61336 ! C4-dicarboxylate relationship: is_conjugate_base_of CHEBI:37155 ! hydrogen butenedioate [Term] id: CHEBI:36229 name: allolactose namespace: chebi_ontology def: "A glycosylglucose consisting of galactose and glucose units linked through a 1-6 glycosidic linkage." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "342.116" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "342.29648" RELATED MASS [ChEBI] synonym: "6-O-beta-D-galactopyranosyl-D-glucopyranose" RELATED [ChemIDplus] synonym: "allolactose" EXACT [ChemIDplus] synonym: "beta-D-galactopyranosyl-(1->6)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Galp-(1->6)-D-Glcp" RELATED [IUPAC] synonym: "C12H22O11" RELATED FORMULA [ChEBI] synonym: "DLRVVLDZNNYCBX-VDGMBKLFSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12-/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] xref: Beilstein:1292777 "Beilstein" xref: CAS:645-03-4 "ChemIDplus" xref: DrugBank:DB04116 xref: PMID:24128493 "Europe PMC" xref: PMID:241475 "Europe PMC" xref: Reaxys:1292777 "Reaxys" is_a: CHEBI:24405 ! glycosylglucose relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] id: CHEBI:36233 name: disaccharide namespace: chebi_ontology alt_id: CHEBI:23844 alt_id: CHEBI:4654 def: "A compound in which two monosaccharides are joined by a glycosidic bond." [] subset: 3_STAR synonym: "disacarido" RELATED [ChEBI] synonym: "disacaridos" RELATED [IUPAC] synonym: "Disaccharid" RELATED [ChEBI] synonym: "Disaccharide" EXACT [KEGG_COMPOUND] synonym: "disaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Disacharid" RELATED [ChEBI] xref: KEGG:C01911 is_a: CHEBI:50699 ! oligosaccharide [Term] id: CHEBI:36234 name: chenodeoxycholate namespace: chebi_ontology alt_id: CHEBI:13960 alt_id: CHEBI:23093 alt_id: CHEBI:57884 def: "Conjugate base of chenodeoxycholic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "391.285" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "391.56406" RELATED MASS [ChEBI] synonym: "3alpha,7alpha-dihydroxy-5beta-cholan-24-oate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O" RELATED SMILES [ChEBI] synonym: "C24H39O4" RELATED FORMULA [ChEBI] synonym: "chenodeoxycholate" EXACT [UniProt] synonym: "chenodeoxycholate anion" RELATED [ChEBI] synonym: "chenodeoxycholate(1-)" RELATED [ChEBI] synonym: "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "RUDATBOHQWOJDD-BSWAIDMHSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3703074 "Beilstein" is_a: CHEBI:131878 ! cholanic acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16755 ! chenodeoxycholic acid [Term] id: CHEBI:36235 name: bile acid anion namespace: chebi_ontology subset: 3_STAR synonym: "bile acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:36078 ! cholanoid is_a: CHEBI:50160 ! steroid acid anion relationship: is_conjugate_base_of CHEBI:3098 ! bile acid [Term] id: CHEBI:36237 name: cholanic acid namespace: chebi_ontology def: "A steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "360.303" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "360.57320" RELATED MASS [ChEBI] synonym: "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O" RELATED SMILES [ChEBI] synonym: "C24H40O2" RELATED FORMULA [ChEBI] synonym: "cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18+,19-,20+,21+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "RPKLZQLYODPWTM-KBMWBBLPSA-N" RELATED InChIKey [ChEBI] xref: CAS:25312-65-6 "ChemIDplus" xref: Patent:JP2008069152 xref: Reaxys:13246008 "Reaxys" is_a: CHEBI:36278 ! cholanic acids [Term] id: CHEBI:36238 name: 5beta-cholanic acid namespace: chebi_ontology subset: 3_STAR synonym: "(5beta)-cholan-24-oic acid" RELATED [ChemIDplus] synonym: "(5beta,17beta)-gamma-methylandrostane-17-butanoic acid" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "360.303" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "360.57320" RELATED MASS [ChEBI] synonym: "5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5beta-cholanic acid" EXACT [ChemIDplus] synonym: "5beta-cholanoic acid" RELATED [ChemIDplus] synonym: "[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC(O)=O" RELATED SMILES [ChEBI] synonym: "C24H40O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "RPKLZQLYODPWTM-LVVAJZGHSA-N" RELATED InChIKey [ChEBI] synonym: "ursocholanic acid" RELATED [ChemIDplus] xref: Beilstein:3214794 "Beilstein" xref: CAS:546-18-9 "ChemIDplus" xref: LIPID_MAPS_instance:LMST04010441 "LIPID MAPS" is_a: CHEBI:36237 ! cholanic acid is_a: CHEBI:36248 ! 5beta-cholanic acids [Term] id: CHEBI:36248 name: 5beta-cholanic acids namespace: chebi_ontology def: "Members of the class of cholanic acids based on a 5beta-cholane skeleton." [] subset: 3_STAR is_a: CHEBI:136889 ! 5beta steroid is_a: CHEBI:36278 ! cholanic acids relationship: has_parent_hydride CHEBI:20664 ! 5beta-cholane [Term] id: CHEBI:36249 name: bile acid conjugate namespace: chebi_ontology def: "A glycine or taurine amide of a bile acid." [] subset: 3_STAR synonym: "bile acid conjugates" RELATED [ChEBI] is_a: CHEBI:36078 ! cholanoid [Term] id: CHEBI:36252 name: glycochenodeoxycholate namespace: chebi_ontology alt_id: CHEBI:58664 alt_id: CHEBI:59452 def: "A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "448.306" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "448.61542" RELATED MASS [ChEBI] synonym: "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O" RELATED SMILES [ChEBI] synonym: "C26H42NO5" RELATED FORMULA [ChEBI] synonym: "GHCZAUBVMUEKKP-GYPHWSFCSA-M" RELATED InChIKey [ChEBI] synonym: "glycochenodeoxycholate" EXACT [UniProt] synonym: "InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1" RELATED InChI [ChEBI] synonym: "N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3730023 "Beilstein" xref: Reaxys:3730023 "Reaxys" is_a: CHEBI:131879 ! cholanic acid conjugate anion is_a: CHEBI:57670 ! N-acylglycinate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:36274 ! glycochenodeoxycholic acid [Term] id: CHEBI:36255 name: bile acid glycine conjugate namespace: chebi_ontology def: "Amide of a bile acid with glycine." [] subset: 3_STAR synonym: "bile acid glycine conjugates" RELATED [ChEBI] is_a: CHEBI:24373 ! glycine derivative is_a: CHEBI:36249 ! bile acid conjugate [Term] id: CHEBI:36262 name: molybdenum oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "molybdenum oxoanion" EXACT [ChEBI] synonym: "molybdenum oxoanions" RELATED [ChEBI] is_a: CHEBI:35202 ! molybdenum coordination entity is_a: CHEBI:35405 ! transition element oxoanion [Term] id: CHEBI:36263 name: hydrogenmolybdate namespace: chebi_ontology def: "A monovalent inorganic anion that consists of molybdic acid where one of the two OH groups has been deprotonated." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "160.94554" RELATED MASS [ChEBI] synonym: "162.893" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[H]O[Mo]([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "[MoO3(OH)](-)" RELATED [ChEBI] synonym: "HMoO4" RELATED FORMULA [ChEBI] synonym: "HMoO4(-)" RELATED [ChEBI] synonym: "hydrogen molybdate" RELATED [IUPAC] synonym: "hydrogen(tetraoxidomolybdate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidomolybdate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/Mo.H2O.3O/h;1H2;;;/q+1;;;;-1/p-1" RELATED InChI [ChEBI] synonym: "NIBXJCYCRLUCEJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] is_a: CHEBI:36262 ! molybdenum oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:36264 ! molybdate relationship: is_conjugate_base_of CHEBI:25371 ! molybdic acid [Term] id: CHEBI:36264 name: molybdate namespace: chebi_ontology alt_id: CHEBI:25368 alt_id: CHEBI:6967 def: "A divalent inorganic anion obtained by removal of both protons from molybdic acid" [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "159.93760" RELATED MASS [ChEBI] synonym: "161.885" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[MoO4](2-)" RELATED [MolBase] synonym: "[O-][Mo]([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/Mo.4O/q;;;2*-1" RELATED InChI [ChEBI] synonym: "MEFBJEMVZONFCJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Molybdate" EXACT [KEGG_COMPOUND] synonym: "molybdate" EXACT [UniProt] synonym: "MOLYBDATE ION" RELATED [PDBeChem] synonym: "MoO4" RELATED FORMULA [ChEBI] synonym: "tetraoxidomolybdate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxidomolybdate(VI)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14259-85-9 "ChemIDplus" xref: Gmelin:2155 "Gmelin" xref: KEGG:C06232 xref: MolBase:230 xref: PDBeChem:MOO is_a: CHEBI:36262 ! molybdenum oxoanion is_a: CHEBI:79388 ! divalent inorganic anion relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:36263 ! hydrogenmolybdate [Term] id: CHEBI:36265 name: transition element oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "transition element oxoacids" RELATED [ChEBI] synonym: "transition metal oxoacid" RELATED [ChEBI] synonym: "transition metal oxoacids" RELATED [ChEBI] is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:36267 name: molybdenum oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "molybdenum oxoacid" EXACT [ChEBI] synonym: "molybdenum oxoacids" RELATED [ChEBI] synonym: "oxoacids of molybdenum" RELATED [ChEBI] is_a: CHEBI:35202 ! molybdenum coordination entity is_a: CHEBI:36265 ! transition element oxoacid [Term] id: CHEBI:36270 name: tungsten oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "tungsten oxoanion" EXACT [ChEBI] synonym: "tungsten oxoanions" RELATED [ChEBI] is_a: CHEBI:35233 ! tungsten coordination entity is_a: CHEBI:35405 ! transition element oxoanion [Term] id: CHEBI:36271 name: hydrogentungstate namespace: chebi_ontology def: "A monovalent inorganic anion that consists of tungstic acid where one of the two OH groups has been deprotonated." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "248.84554" RELATED MASS [ChEBI] synonym: "248.938" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[H]O[W]([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "[WO3(OH)](-)" RELATED [ChEBI] synonym: "HO4W" RELATED FORMULA [ChEBI] synonym: "HWO4(-)" RELATED [IUPAC] synonym: "hydrogen(tetraoxidotungstate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidotungstate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O.3O.W/h1H2;;;;/q;;;-1;+1/p-1" RELATED InChI [ChEBI] synonym: "QGUPUDUDXSOSNF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Gmelin:26402 "Gmelin" is_a: CHEBI:36270 ! tungsten oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:46502 ! tungstate relationship: is_conjugate_base_of CHEBI:36272 ! tungstic acid [Term] id: CHEBI:36272 name: tungstic acid namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "249.85348" RELATED MASS [ChEBI] synonym: "249.946" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[H]O[W](=O)(=O)O[H]" RELATED SMILES [ChEBI] synonym: "[WO2(OH)2]" RELATED [ChEBI] synonym: "CMPGARWFYBADJI-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "dihydrogen wolframate" RELATED [ChemIDplus] synonym: "dihydroxidodioxidotungsten" EXACT IUPAC_NAME [IUPAC] synonym: "H2O4W" RELATED FORMULA [ChEBI] synonym: "H2WO4" RELATED [IUPAC] synonym: "InChI=1S/2H2O.2O.W/h2*1H2;;;/q;;;;+2/p-2" RELATED InChI [ChEBI] synonym: "tungstic(VI) acid" RELATED [ChemIDplus] xref: CAS:7783-03-1 "ChemIDplus" xref: Gmelin:82224 "Gmelin" is_a: CHEBI:35233 ! tungsten coordination entity relationship: is_conjugate_acid_of CHEBI:36271 ! hydrogentungstate [Term] id: CHEBI:36273 name: sodium glycocholate namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "487.291" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "487.60459" RELATED MASS [ChEBI] synonym: "[Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O" RELATED SMILES [ChEBI] synonym: "C26H42NNaO6" RELATED FORMULA [ChEBI] synonym: "glycocholate sodium" RELATED [ChemIDplus] synonym: "glycocholate sodium salt" RELATED [ChemIDplus] synonym: "glycocholic acid sodium salt" RELATED [ChemIDplus] synonym: "InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1" RELATED InChI [ChEBI] synonym: "monosodium glycocholic acid" RELATED [ChemIDplus] synonym: "N-choloylglycine, monosodium salt" RELATED [ChemIDplus] synonym: "OABYVIYXWMZFFJ-ZUHYDKSRSA-M" RELATED InChIKey [ChEBI] synonym: "sodium glycocholate" EXACT [ChemIDplus] synonym: "sodium N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3854517 "Beilstein" xref: CAS:863-57-0 "ChemIDplus" is_a: CHEBI:22868 ! bile salt relationship: has_part CHEBI:29746 ! glycocholate [Term] id: CHEBI:36274 name: glycochenodeoxycholic acid namespace: chebi_ontology alt_id: CHEBI:3591 alt_id: CHEBI:41520 alt_id: CHEBI:5463 def: "A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "449.314" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "449.62336" RELATED MASS [ChEBI] synonym: "[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O" RELATED SMILES [ChEBI] synonym: "C26H43NO5" RELATED FORMULA [KEGG_COMPOUND] synonym: "chenodeoxycholylglycine" RELATED [ChemIDplus] synonym: "Chenodeoxyglycocholate" RELATED [KEGG_COMPOUND] synonym: "chenodeoxyglycocholic acid" RELATED [ChEBI] synonym: "GCDCA" RELATED [ChEBI] synonym: "GHCZAUBVMUEKKP-GYPHWSFCSA-N" RELATED InChIKey [ChEBI] synonym: "glycine chenodeoxycholate" RELATED [ChemIDplus] synonym: "Glycochenodeoxycholate" RELATED [KEGG_COMPOUND] synonym: "GLYCOCHENODEOXYCHOLIC ACID" EXACT [PDBeChem] synonym: "Glycochenodeoxycholic acid" EXACT [KEGG_COMPOUND] synonym: "InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1" RELATED InChI [ChEBI] synonym: "N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3226177 "Beilstein" xref: CAS:640-79-9 "KEGG COMPOUND" xref: DrugBank:DB02123 xref: HMDB:HMDB06898 xref: KEGG:C05466 xref: MetaCyc:GLYCOCHENODEOXYCHOLIC_ACID xref: PDBeChem:CHO xref: PMID:22770225 "Europe PMC" xref: PMID:23078175 "Europe PMC" xref: Reaxys:3226177 "Reaxys" xref: Wikipedia:Glycochenodeoxycholic_acid is_a: CHEBI:36255 ! bile acid glycine conjugate relationship: has_functional_parent CHEBI:16755 ! chenodeoxycholic acid relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:36252 ! glycochenodeoxycholate [Term] id: CHEBI:36277 name: bile acid salt namespace: chebi_ontology def: "A salt of a bile acid." [] subset: 3_STAR synonym: "bile acid salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt is_a: CHEBI:36078 ! cholanoid [Term] id: CHEBI:36278 name: cholanic acids namespace: chebi_ontology alt_id: CHEBI:23166 alt_id: CHEBI:23211 subset: 1_STAR synonym: "cholan-24-oic acids" RELATED [ChEBI] is_a: CHEBI:36078 ! cholanoid is_a: CHEBI:47891 ! steroid acid [Term] id: CHEBI:36299 name: tricarboxylic acid monoanion namespace: chebi_ontology subset: 3_STAR synonym: "tricarboxylic acid monoanions" RELATED [ChEBI] is_a: CHEBI:35753 ! tricarboxylic acid anion [Term] id: CHEBI:36300 name: tricarboxylic acid dianion namespace: chebi_ontology subset: 3_STAR synonym: "tricarboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:35753 ! tricarboxylic acid anion [Term] id: CHEBI:36333 name: local anaesthetic namespace: chebi_ontology def: "Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block." [] subset: 3_STAR synonym: "anesthesique local" RELATED [ChEBI] synonym: "local anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "local anaesthetics" RELATED [ChEBI] synonym: "local anesthetics" RELATED [ChEBI] synonym: "Lokalanaesthetikum" RELATED [ChEBI] is_a: CHEBI:38867 ! anaesthetic [Term] id: CHEBI:36335 name: trypanocidal drug namespace: chebi_ontology def: "A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida." [] subset: 3_STAR synonym: "antitrypanosomal agent" RELATED [ChEBI] synonym: "antitrypanosomal agents" RELATED [ChEBI] synonym: "antitrypanosomal drug" RELATED [ChEBI] synonym: "antitrypanosomal drugs" RELATED [ChEBI] synonym: "trypanocidal drugs" RELATED [ChEBI] synonym: "trypanocide" RELATED [ChEBI] synonym: "trypanosomicidal agents" RELATED [ChEBI] is_a: CHEBI:35820 ! antiprotozoal drug [Term] id: CHEBI:36338 name: lepton namespace: chebi_ontology def: "Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin)." [] subset: 3_STAR synonym: "leptons" RELATED [ChEBI] is_a: CHEBI:33233 ! fundamental particle is_a: CHEBI:36340 ! fermion [Term] id: CHEBI:36339 name: baryon namespace: chebi_ontology def: "Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy)." [] subset: 3_STAR synonym: "baryons" RELATED [ChEBI] is_a: CHEBI:36340 ! fermion is_a: CHEBI:36344 ! hadron [Term] id: CHEBI:36340 name: fermion namespace: chebi_ontology def: "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi." [] subset: 3_STAR synonym: "fermion" EXACT IUPAC_NAME [IUPAC] synonym: "fermions" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36342 name: subatomic particle namespace: chebi_ontology def: "A particle smaller than an atom." [] subset: 3_STAR synonym: "subatomic particles" RELATED [ChEBI] is_a: BFO:0000030 ! object [Term] id: CHEBI:36343 name: composite particle namespace: chebi_ontology def: "A subatomic particle known to have substructure (i.e. consisting of smaller particles)." [] subset: 3_STAR synonym: "composite particles" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36344 name: hadron namespace: chebi_ontology def: "Hadron is a subatomic particle which experiences the strong force." [] subset: 3_STAR synonym: "hadrons" RELATED [ChEBI] is_a: CHEBI:36343 ! composite particle [Term] id: CHEBI:36347 name: nuclear particle namespace: chebi_ontology def: "A nucleus or any of its constituents in any of their energy states." [] subset: 3_STAR synonym: "nuclear particle" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36357 name: polyatomic entity namespace: chebi_ontology def: "Any molecular entity consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic entities" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:24433 ! group property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36358 name: polyatomic ion namespace: chebi_ontology def: "An ion consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:36357 ! polyatomic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36359 name: phosphorus oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus oxoacid derivative" EXACT [ChEBI] is_a: CHEBI:33241 ! oxoacid derivative is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives relationship: has_functional_parent CHEBI:33457 ! phosphorus oxoacid [Term] id: CHEBI:36360 name: phosphorus oxoacids and derivatives namespace: chebi_ontology subset: 1_STAR synonym: "phosphorus oxoacids and derivatives" EXACT [ChEBI] is_a: CHEBI:26082 ! phosphorus molecular entity [Term] id: CHEBI:36361 name: phosphorous acid namespace: chebi_ontology alt_id: CHEBI:26081 alt_id: CHEBI:29196 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "81.982" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "81.99578" RELATED MASS [ChEBI] synonym: "[H]OP(O[H])O[H]" RELATED SMILES [ChEBI] synonym: "[P(OH)3]" RELATED [IUPAC] synonym: "H3O3P" RELATED FORMULA [ChEBI] synonym: "H3PO3" RELATED [NIST_Chemistry_WebBook] synonym: "H3PO3" RELATED [IUPAC] synonym: "InChI=1S/H3O3P/c1-4(2)3/h1-3H" RELATED InChI [ChEBI] synonym: "OJMIONKXNSYLSR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "P(OH)3" RELATED [IUPAC] synonym: "phosphite" RELATED [UniProt] synonym: "phosphorige Saeure" RELATED [ChEBI] synonym: "phosphorous acid" EXACT [IUPAC] synonym: "trihydrogen trioxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trihydroxidophosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "trioxophosphoric(3-) acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:10294-56-1 "ChemIDplus" xref: Gmelin:164068 "Gmelin" is_a: CHEBI:33457 ! phosphorus oxoacid relationship: is_conjugate_acid_of CHEBI:29258 ! dihydrogenphosphite relationship: is_tautomer_of CHEBI:44976 ! phosphonic acid [Term] id: CHEBI:36364 name: alkaline earth salt namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth salts" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:33299 ! alkaline earth molecular entity [Term] id: CHEBI:36416 name: mancude organic heterotricyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heterotricyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heterotricyclic parents" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:35571 ! mancude organic heterocyclic parent [Term] id: CHEBI:36421 name: phenanthridine namespace: chebi_ontology def: "An azaarene that is the 9-aza derivative of phenanthrene. The parent of the class of phenanthridines." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "179.073" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "179.21730" RELATED MASS [ChEBI] synonym: "3,4-benzoisoquinoline" RELATED [ChemIDplus] synonym: "3,4-benzoquinoline" RELATED [NIST_Chemistry_WebBook] synonym: "6-phenanthridine" RELATED [ChemIDplus] synonym: "9-azaphenanthrene" RELATED [NIST_Chemistry_WebBook] synonym: "benzo[c]quinoline" RELATED [NIST_Chemistry_WebBook] synonym: "C13H9N" RELATED FORMULA [ChEBI] synonym: "c1ccc2c(c1)cnc1ccccc21" RELATED SMILES [ChEBI] synonym: "InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H" RELATED InChI [ChEBI] synonym: "phenanthridine" EXACT IUPAC_NAME [IUPAC] synonym: "RDOWQLZANAYVLL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:120204 "Beilstein" xref: CAS:229-87-8 "ChemIDplus" xref: PMID:18522130 "Europe PMC" xref: PMID:24452525 "Europe PMC" xref: PMID:24547771 "Europe PMC" xref: Reaxys:120204 "Reaxys" xref: Wikipedia:Phenanthridine is_a: CHEBI:36416 ! mancude organic heterotricyclic parent is_a: CHEBI:38180 ! polycyclic heteroarene is_a: CHEBI:50893 ! azaarene is_a: CHEBI:51245 ! phenanthridines [Term] id: CHEBI:36481 name: oleanane namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "412.407" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "412.73388" RELATED MASS [ChEBI] synonym: "[H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CCC(C)(C)C[C@@]21[H]" RELATED SMILES [ChEBI] synonym: "C30H52" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24-,27-,28+,29-,30-/m1/s1" RELATED InChI [ChEBI] synonym: "oleanane" EXACT IUPAC_NAME [IUPAC] synonym: "VCNKUCWWHVTTBY-KQCVGMHHSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:3140799 "Beilstein" is_a: CHEBI:35191 ! triterpene is_a: CHEBI:35662 ! terpenoid fundamental parent [Term] id: CHEBI:36562 name: main-group coordination entity namespace: chebi_ontology def: "A coordination entity in which the central atom to which the ligands are attached comes from groups 1, 2, 13, 14, 15, 16, 17, or 18 of the periodic table." [] subset: 3_STAR synonym: "main group coordination compounds" RELATED [ChEBI] synonym: "main-group coordination entities" RELATED [ChEBI] is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33579 ! main group molecular entity [Term] id: CHEBI:36563 name: zinc group coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc group coordination compounds" RELATED [ChEBI] synonym: "zinc group coordination entities" RELATED [ChEBI] is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33673 ! zinc group molecular entity [Term] id: CHEBI:36565 name: cadmium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "cadmium coordination compounds" RELATED [ChEBI] synonym: "cadmium coordination entities" RELATED [ChEBI] is_a: CHEBI:22978 ! cadmium molecular entity is_a: CHEBI:36563 ! zinc group coordination entity [Term] id: CHEBI:36572 name: cyanide salt namespace: chebi_ontology subset: 3_STAR synonym: "cyanide salt" EXACT [ChEBI] synonym: "cyanide salts" RELATED [ChEBI] is_a: CHEBI:23424 ! cyanides relationship: has_part CHEBI:17514 ! cyanide [Term] id: CHEBI:36586 name: carbonyl compound namespace: chebi_ontology def: "Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives." [] subset: 3_STAR synonym: "carbonyl compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36587 ! organic oxo compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_part CHEBI:23019 ! carbonyl group property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36587 name: organic oxo compound namespace: chebi_ontology def: "Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element." [] subset: 3_STAR synonym: "organic oxo compounds" RELATED [ChEBI] synonym: "oxo compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:72695 ! organic molecule relationship: has_part CHEBI:46629 ! oxo group property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36615 name: triterpenoid namespace: chebi_ontology alt_id: CHEBI:27151 alt_id: CHEBI:9748 def: "Any terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "Triterpenoid" EXACT [KEGG_COMPOUND] synonym: "triterpenoides" RELATED [ChEBI] synonym: "triterpenoids" RELATED [ChEBI] xref: KEGG:C06085 is_a: CHEBI:26873 ! terpenoid relationship: has_parent_hydride CHEBI:35191 ! triterpene [Term] id: CHEBI:36624 name: naphthyridine namespace: chebi_ontology def: "Any one of eight organic heterobicyclic compounds that have a naphthalene skeleton in which two of the carbons are replaced by nitrogens. A 'closed' class." [] subset: 3_STAR synonym: "C8H6N2" RELATED FORMULA [ChEBI] synonym: "naphthyridine" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Naphthyridine is_a: CHEBI:35570 ! mancude organic heterobicyclic parent is_a: CHEBI:50893 ! azaarene is_a: CHEBI:52362 ! ortho-fused heteroarene [Term] id: CHEBI:36628 name: 1,8-naphthyridine namespace: chebi_ontology def: "A naphthyridine in which the nitrogens are situated at positions 1 and 8." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,8-diazanaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "1,8-naphthyridine" EXACT IUPAC_NAME [IUPAC] synonym: "1,8-pyridopyridine" RELATED [NIST_Chemistry_WebBook] synonym: "130.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "130.14660" RELATED MASS [ChEBI] synonym: "c1cnc2ncccc2c1" RELATED SMILES [ChEBI] synonym: "C8H6N2" RELATED FORMULA [ChEBI] synonym: "FLBAYUMRQUHISI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H" RELATED InChI [ChEBI] synonym: "napy" RELATED [IUPAC] xref: Beilstein:109347 "Beilstein" xref: CAS:254-60-4 "NIST Chemistry WebBook" xref: Gmelin:27124 "Gmelin" xref: Reaxys:109347 "Reaxys" is_a: CHEBI:36624 ! naphthyridine [Term] id: CHEBI:36654 name: 2,3-dihydroxybenzoate namespace: chebi_ontology alt_id: CHEBI:11427 alt_id: CHEBI:19319 subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "153.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "153.11220" RELATED MASS [ChEBI] synonym: "2,3-Dihydroxybenzoate" EXACT [KEGG_COMPOUND] synonym: "2,3-dihydroxybenzoate" EXACT [UniProt] synonym: "2,3-dihydroxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-pyrocatechuate" RELATED [ChEBI] synonym: "3-hydroxysalicylate" RELATED [ChEBI] synonym: "C7H5O4" RELATED FORMULA [ChEBI] synonym: "catechol-3-carboxylate" RELATED [ChEBI] synonym: "GLDQAMYCGOIJDV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)/p-1" RELATED InChI [ChEBI] synonym: "Oc1cccc(C([O-])=O)c1O" RELATED SMILES [ChEBI] xref: Beilstein:3666805 "Beilstein" xref: KEGG:C00196 "ChEBI" xref: UM-BBD_compID:c0056 "ChEBI" is_a: CHEBI:36084 ! dihydroxybenzoate relationship: has_functional_parent CHEBI:16150 ! benzoate relationship: is_conjugate_base_of CHEBI:18026 ! 2,3-dihydroxybenzoic acid [Term] id: CHEBI:36655 name: glyoxylate namespace: chebi_ontology alt_id: CHEBI:14368 alt_id: CHEBI:24420 alt_id: CHEBI:35977 def: "The conjugate base of glyoxylic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "72.993" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "73.02754" RELATED MASS [ChEBI] synonym: "[H]C(=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C2HO3" RELATED FORMULA [ChEBI] synonym: "Glyoxylat" RELATED [ChEBI] synonym: "glyoxylate" EXACT [UniProt] synonym: "HHLFWLYXYJOTON-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)/p-1" RELATED InChI [ChEBI] synonym: "oxoacetate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3903641 "Beilstein" xref: Gmelin:323497 "Gmelin" xref: MetaCyc:GLYOX is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16891 ! glyoxylic acid [Term] id: CHEBI:36683 name: organochlorine compound namespace: chebi_ontology def: "An organochlorine compound is a compound containing at least one carbon-chlorine bond." [] subset: 3_STAR synonym: "chloroorganic compounds" RELATED [ChEBI] synonym: "chlororganische Verbindungen" RELATED [ChEBI] synonym: "organochloride compound" RELATED [ChEBI] synonym: "organochloride compounds" RELATED [ChEBI] synonym: "organochlorine compound" EXACT [ChEBI] synonym: "organochlorine compounds" RELATED [ChEBI] xref: Wikipedia:Organochloride is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:36684 ! organohalogen compound [Term] id: CHEBI:36684 name: organohalogen compound namespace: chebi_ontology def: "A compound containing at least one carbon-halogen bond." [] subset: 3_STAR synonym: "organohalogen compounds" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:37578 ! halide [Term] id: CHEBI:36685 name: chlorocarboxylic acid namespace: chebi_ontology def: "A carboxylic acid containing at least one chloro group." [] subset: 3_STAR synonym: "chlorocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:36688 name: heterotricyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterotricyclic compound" EXACT [ChEBI] synonym: "heterotricyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "heterotricyclic compounds" RELATED [ChEBI] is_a: CHEBI:33671 ! heteropolycyclic compound [Term] id: CHEBI:36699 name: corticosteroid hormone namespace: chebi_ontology def: "Any of a class of steroid hormones that are produced in the adrenal cortex." [] subset: 3_STAR synonym: "adrenal cortex hormones" RELATED [ChEBI] synonym: "corticosteroid hormones" RELATED [ChEBI] is_a: CHEBI:26764 ! steroid hormone is_a: CHEBI:50858 ! corticosteroid [Term] id: CHEBI:36709 name: aminoquinoline namespace: chebi_ontology subset: 3_STAR synonym: "aminoquinoline" EXACT [ChEBI] synonym: "aminoquinolines" RELATED [ChEBI] is_a: CHEBI:26513 ! quinolines is_a: CHEBI:33860 ! aromatic amine [Term] id: CHEBI:36807 name: hydrochloride namespace: chebi_ontology def: "A salt formally resulting from the reaction of hydrochloric acid with an organic base." [] subset: 3_STAR synonym: "Hydrochlorid" RELATED [ChEBI] synonym: "hydrochloride salts" RELATED [ChEBI] synonym: "hydrochlorides" RELATED [ChEBI] is_a: CHEBI:36094 ! organic chloride salt [Term] id: CHEBI:36816 name: oxime O-ether namespace: chebi_ontology def: "O-organyl oximes R2C=NOR' (R' =/= H)." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "41.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]O\\N=C(/[*])[*]" RELATED SMILES [ChEBI] synonym: "CNOR3" RELATED FORMULA [ChEBI] synonym: "O-substituted oximes" RELATED [ChEBI] synonym: "oxime ether" RELATED [ChEBI] synonym: "oxime ethers" RELATED [ChEBI] synonym: "oxime O-ether" EXACT [IUPAC] synonym: "oxime O-ethers" EXACT IUPAC_NAME [IUPAC] synonym: "oxime O-ethers" RELATED [ChEBI] is_a: CHEBI:25698 ! ether is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:36820 name: ring assembly namespace: chebi_ontology def: "Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved." [] subset: 3_STAR synonym: "ring assemblies" EXACT IUPAC_NAME [IUPAC] synonym: "ring assembly" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:36823 name: pseudohalo group namespace: chebi_ontology subset: 3_STAR synonym: "halogenoid group" RELATED [ChEBI] synonym: "pseudohalide group" EXACT IUPAC_NAME [IUPAC] synonym: "pseudohalido group" RELATED [ChEBI] synonym: "pseudohalo groups" RELATED [ChEBI] synonym: "pseudohalogen group" RELATED [IUPAC] is_a: CHEBI:24433 ! group [Term] id: CHEBI:36828 name: pseudohalide anion namespace: chebi_ontology subset: 3_STAR synonym: "pseudohalide anions" RELATED [ChEBI] synonym: "pseudohalide ions" EXACT IUPAC_NAME [IUPAC] synonym: "pseudohalides" RELATED [ChEBI] synonym: "pseudohalogen anion" RELATED [ChEBI] synonym: "pseudohalogen ion" RELATED [ChEBI] is_a: CHEBI:36829 ! polyatomic monoanion [Term] id: CHEBI:36829 name: polyatomic monoanion namespace: chebi_ontology subset: 3_STAR synonym: "polyatomic monoanions" RELATED [ChEBI] is_a: CHEBI:33273 ! polyatomic anion is_a: CHEBI:36830 ! monoanion [Term] id: CHEBI:36830 name: monoanion namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "monoanions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion [Term] id: CHEBI:36834 name: 3-hydroxy steroid namespace: chebi_ontology def: "Any hydroxy steroid carrying a hydroxy group at position 3." [] subset: 3_STAR synonym: "3-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36838 name: 17-hydroxy steroid namespace: chebi_ontology def: "A hydroxy steroid carrying a hydroxy group at position 17." [] subset: 3_STAR synonym: "17-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36841 name: 11-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "11-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36856 name: hydrogen isocyanide namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "27.011" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "27.02538" RELATED MASS [ChEBI] synonym: "[C-]#[NH+]" RELATED SMILES [ChEBI] synonym: "CHN" RELATED FORMULA [ChEBI] synonym: "CNH" RELATED [ChEBI] synonym: "HN(+)#C(-)" RELATED [IUPAC] synonym: "HNC" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen isocyanide" EXACT [NIST_Chemistry_WebBook] synonym: "hydroisocyanic acid" RELATED [ChEBI] synonym: "InChI=1S/CHN/c1-2/h2H" RELATED InChI [ChEBI] synonym: "nitriliomethanide" EXACT IUPAC_NAME [IUPAC] synonym: "QIUBLANJVAOHHY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2069401 "Beilstein" xref: CAS:6914-07-4 "NIST Chemistry WebBook" xref: Gmelin:113 "Gmelin" is_a: CHEBI:33405 ! hydracid relationship: is_conjugate_acid_of CHEBI:17514 ! cyanide relationship: is_tautomer_of CHEBI:18407 ! hydrogen cyanide [Term] id: CHEBI:36871 name: inorganic radical namespace: chebi_ontology subset: 3_STAR synonym: "inorganic radicals" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:26519 ! radical [Term] id: CHEBI:36873 name: radical anion namespace: chebi_ontology subset: 3_STAR synonym: "anion radical" RELATED [IUPAC] synonym: "radical anion" EXACT IUPAC_NAME [IUPAC] synonym: "radical anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:36875 ! radical ion [Term] id: CHEBI:36875 name: radical ion namespace: chebi_ontology def: "A radical that carries an electric charge." [] subset: 3_STAR synonym: "ion radical" RELATED [IUPAC] synonym: "radical ion" EXACT IUPAC_NAME [IUPAC] synonym: "radical ions" RELATED [IUPAC] is_a: CHEBI:24870 ! ion is_a: CHEBI:26519 ! radical [Term] id: CHEBI:36876 name: inorganic radical anion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic anion radical" RELATED [ChEBI] synonym: "inorganic radical anions" RELATED [ChEBI] is_a: CHEBI:36873 ! radical anion is_a: CHEBI:36878 ! inorganic radical ion [Term] id: CHEBI:36878 name: inorganic radical ion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic ion radical" RELATED [ChEBI] synonym: "inorganic radical ions" RELATED [ChEBI] is_a: CHEBI:36871 ! inorganic radical is_a: CHEBI:36875 ! radical ion [Term] id: CHEBI:36885 name: 20-oxo steroid namespace: chebi_ontology def: "An oxo steroid carrying an oxo group at position 20." [] subset: 3_STAR synonym: "20-oxo steroids" RELATED [ChEBI] is_a: CHEBI:35789 ! oxo steroid [Term] id: CHEBI:36894 name: elemental bromine namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33434 ! elemental halogen [Term] id: CHEBI:36896 name: monoatomic bromine namespace: chebi_ontology subset: 3_STAR synonym: "atomic bromine" RELATED [ChEBI] synonym: "Br" RELATED FORMULA [ChEBI] is_a: CHEBI:36894 ! elemental bromine [Term] id: CHEBI:36902 name: chalcogen hydride namespace: chebi_ontology subset: 3_STAR synonym: "chalcogen hydride" EXACT [ChEBI] synonym: "chalcogen hydrides" RELATED [ChEBI] is_a: CHEBI:33242 ! inorganic hydride is_a: CHEBI:33304 ! chalcogen molecular entity [Term] id: CHEBI:36914 name: inorganic ion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic ions" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:24870 ! ion [Term] id: CHEBI:36915 name: inorganic cation namespace: chebi_ontology subset: 3_STAR synonym: "inorganic cations" RELATED [ChEBI] is_a: CHEBI:36914 ! inorganic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:36916 name: cation namespace: chebi_ontology alt_id: CHEBI:23058 alt_id: CHEBI:3473 def: "A monoatomic or polyatomic species having one or more elementary charges of the proton." [] subset: 3_STAR synonym: "Cation" EXACT [KEGG_COMPOUND] synonym: "cation" EXACT IUPAC_NAME [IUPAC] synonym: "cation" EXACT [ChEBI] synonym: "cationes" RELATED [ChEBI] synonym: "cations" RELATED [ChEBI] synonym: "Kation" RELATED [ChEBI] synonym: "Kationen" RELATED [ChEBI] xref: KEGG:C01373 is_a: CHEBI:24870 ! ion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36919 name: antimony molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "antimony compounds" RELATED [ChEBI] synonym: "antimony molecular entities" RELATED [ChEBI] synonym: "antimony molecular entity" EXACT [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:30513 ! antimony atom [Term] id: CHEBI:36920 name: antimony oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "antimony oxoacids" RELATED [ChEBI] synonym: "oxoacids of antimony" RELATED [ChEBI] is_a: CHEBI:33408 ! pnictogen oxoacid is_a: CHEBI:50007 ! antimony coordination entity [Term] id: CHEBI:36921 name: antimony oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "antimony oxoanion" EXACT [ChEBI] synonym: "antimony oxoanions" RELATED [ChEBI] synonym: "oxoanions of antimony" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:33459 ! pnictogen oxoanion is_a: CHEBI:50007 ! antimony coordination entity [Term] id: CHEBI:36961 name: chalcocarbonic acid namespace: chebi_ontology subset: 3_STAR synonym: "chalcocarbonic acid" EXACT [ChEBI] synonym: "chalcocarbonic acids" EXACT IUPAC_NAME [IUPAC] synonym: "chalcocarbonic acids" RELATED [ChEBI] is_a: CHEBI:36962 ! organochalcogen compound [Term] id: CHEBI:36962 name: organochalcogen compound namespace: chebi_ontology def: "An organochalcogen compound is a compound containing at least one carbon-chalcogen bond." [] subset: 3_STAR synonym: "organochalcogen compound" EXACT [ChEBI] synonym: "organochalcogen compounds" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:33304 ! chalcogen molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36963 name: organooxygen compound namespace: chebi_ontology def: "An organochalcogen compound containing at least one carbon-oxygen bond." [] subset: 3_STAR synonym: "organooxygen compound" EXACT [ChEBI] synonym: "organooxygen compounds" RELATED [ChEBI] xref: PMID:17586126 "Europe PMC" is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:36962 ! organochalcogen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36976 name: nucleotide namespace: chebi_ontology alt_id: CHEBI:13215 alt_id: CHEBI:13663 alt_id: CHEBI:7656 def: "A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid." [] subset: 3_STAR synonym: "a nucleotide" RELATED [UniProt] synonym: "Nucleotide" EXACT [KEGG_COMPOUND] synonym: "nucleotides" RELATED [ChEBI] xref: KEGG:C00215 is_a: CHEBI:25608 ! nucleoside phosphate [Term] id: CHEBI:36982 name: cyclic purine nucleotide namespace: chebi_ontology subset: 3_STAR synonym: "cyclic purine nucleotides" RELATED [ChEBI] is_a: CHEBI:23447 ! cyclic nucleotide is_a: CHEBI:26395 ! purine nucleotide [Term] id: CHEBI:37010 name: ribonucleoside 5'-monophosphate namespace: chebi_ontology alt_id: CHEBI:1976 alt_id: CHEBI:1977 alt_id: CHEBI:20500 alt_id: CHEBI:36996 subset: 3_STAR synonym: "ribonucleoside 5'-monophosphates" RELATED [ChEBI] is_a: CHEBI:26558 ! ribonucleoside monophosphate is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate [Term] id: CHEBI:37015 name: ribonucleoside 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleoside 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:16701 ! nucleoside 5'-phosphate is_a: CHEBI:26561 ! ribonucleotide [Term] id: CHEBI:37016 name: 2'-deoxyribonucleoside 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "2'-deoxyribonucleoside 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:16701 ! nucleoside 5'-phosphate is_a: CHEBI:19260 ! 2'-deoxyribonucleotide [Term] id: CHEBI:37021 name: purine ribonucleoside 5'-monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside 5'-monophosphates" RELATED [ChEBI] is_a: CHEBI:26397 ! purine ribonucleoside monophosphate is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate [Term] id: CHEBI:37022 name: amino-acid anion namespace: chebi_ontology subset: 3_STAR synonym: "amino acid anions" RELATED [ChEBI] synonym: "amino-acid anion" EXACT [ChEBI] synonym: "amino-acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion is_a: CHEBI:35352 ! organonitrogen compound relationship: is_conjugate_base_of CHEBI:33709 ! amino acid [Term] id: CHEBI:37038 name: purine ribonucleoside 5'-diphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside 5'-diphosphates" RELATED [ChEBI] is_a: CHEBI:26396 ! purine ribonucleoside diphosphate is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:37075 ! ribonucleoside 5'-diphosphate [Term] id: CHEBI:37042 name: purine 2'-deoxyribonucleoside 5'-triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine 2'-deoxyribonucleoside 5'-triphosphates" RELATED [ChEBI] is_a: CHEBI:16381 ! 2'-deoxyribonucleoside 5'-triphosphate is_a: CHEBI:26389 ! purine deoxyribonucleoside triphosphate is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide [Term] id: CHEBI:37044 name: pyrimidine ribonucleoside 5'-triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine ribonucleoside 5'-triphosphates" RELATED [ChEBI] is_a: CHEBI:26444 ! pyrimidine ribonucleoside triphosphate is_a: CHEBI:26446 ! pyrimidine ribonucleotide is_a: CHEBI:37076 ! ribonucleoside 5'-triphosphate [Term] id: CHEBI:37045 name: purine ribonucleoside 5'-triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside 5'-triphosphates" RELATED [ChEBI] is_a: CHEBI:26398 ! purine ribonucleoside triphosphate is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:37076 ! ribonucleoside 5'-triphosphate [Term] id: CHEBI:37075 name: ribonucleoside 5'-diphosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleoside 5'-diphosphates" RELATED [ChEBI] is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate [Term] id: CHEBI:37076 name: ribonucleoside 5'-triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleoside 5'-triphosphates" RELATED [ChEBI] is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate [Term] id: CHEBI:37080 name: acrylate namespace: chebi_ontology alt_id: CHEBI:13721 alt_id: CHEBI:35937 subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-propenoate" RELATED [ChemIDplus] synonym: "2-propenoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "71.013" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "71.05472" RELATED MASS [ChEBI] synonym: "[O-]C(=O)C=C" RELATED SMILES [ChEBI] synonym: "acrylate" EXACT [UniProt] synonym: "C3H3O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/p-1" RELATED InChI [ChEBI] synonym: "NIXOWILDQLNWCW-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "prop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "Propenoate" RELATED [KEGG_COMPOUND] xref: Beilstein:3535778 "Beilstein" xref: Beilstein:3931336 "Beilstein" xref: CAS:10344-93-1 "ChemIDplus" xref: Gmelin:323518 "Gmelin" xref: KEGG:C00511 xref: UM-BBD_compID:c0113 "UM-BBD" is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:18308 ! acrylic acid [Term] id: CHEBI:37096 name: adenosine 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "adenosine 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:22256 ! adenosine phosphate is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate [Term] id: CHEBI:37121 name: guanosine 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "guanosine 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:24455 ! guanosine phosphate [Term] id: CHEBI:37123 name: nucleoside bisphosphate namespace: chebi_ontology subset: 3_STAR synonym: "nucleoside bisphosphates" RELATED [ChEBI] is_a: CHEBI:25608 ! nucleoside phosphate [Term] id: CHEBI:37143 name: organofluorine compound namespace: chebi_ontology def: "An organofluorine compound is a compound containing at least one carbon-fluorine bond." [] subset: 3_STAR synonym: "fluoroorganic compound" RELATED [ChEBI] synonym: "fluoroorganic compounds" RELATED [ChEBI] synonym: "fluoroorganics" RELATED [ChEBI] synonym: "fluororganische Verbindungen" RELATED [ChEBI] synonym: "organofluorine compound" EXACT [ChEBI] synonym: "organofluorine compounds" RELATED [ChEBI] is_a: CHEBI:24062 ! fluorine molecular entity is_a: CHEBI:36684 ! organohalogen compound [Term] id: CHEBI:37154 name: fumarate(1-) namespace: chebi_ontology def: "A hydrogen butenedioate obtained by deprotonation of one of the carboxy groups of fumaric acid." [] subset: 3_STAR synonym: "(2E)-3-carboxyacrylate" RELATED [IUPAC] synonym: "(2E)-3-carboxyprop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "115.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "115.06422" RELATED MASS [ChEBI] synonym: "C4H3O4" RELATED FORMULA [ChEBI] synonym: "fumarate monoanion" RELATED [ChEBI] synonym: "hydrogen fumarate" RELATED [ChEBI] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1/b2-1+" RELATED InChI [ChEBI] synonym: "OC(=O)\\C=C\\C([O-])=O" RELATED SMILES [ChEBI] synonym: "VZCYOOQTPOCHFL-OWOJBTEDSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:1906438 "Beilstein" xref: Gmelin:325290 "Gmelin" xref: Reaxys:1906438 "Reaxys" is_a: CHEBI:37155 ! hydrogen butenedioate relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:29806 ! fumarate(2-) relationship: is_conjugate_base_of CHEBI:18012 ! fumaric acid [Term] id: CHEBI:37155 name: hydrogen butenedioate namespace: chebi_ontology subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "115.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "115.06422" RELATED MASS [ChEBI] synonym: "3-carboxyacrylate" RELATED [IUPAC] synonym: "3-carboxyprop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "[H]C(=C([H])C([O-])=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "C4H3O4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1" RELATED InChI [ChEBI] synonym: "VZCYOOQTPOCHFL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:5244783 "Beilstein" xref: Gmelin:1342303 "Gmelin" is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_acid_of CHEBI:36180 ! butenedioate relationship: is_conjugate_base_of CHEBI:22958 ! butenedioic acid [Term] id: CHEBI:37156 name: maleate(1-) namespace: chebi_ontology def: "A hydrogen butenedioate that is the conjugate base of maleic acid." [] subset: 3_STAR synonym: "(2Z)-3-carboxyacrylate" RELATED [IUPAC] synonym: "(2Z)-3-carboxyprop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "115.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "115.06422" RELATED MASS [ChEBI] synonym: "C4H3O4" RELATED FORMULA [ChEBI] synonym: "Hmale" RELATED [IUPAC] synonym: "hydrogen maleate" RELATED [ChEBI] synonym: "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1/b2-1-" RELATED InChI [ChEBI] synonym: "OC(=O)\\C=C/C([O-])=O" RELATED SMILES [ChEBI] synonym: "VZCYOOQTPOCHFL-UPHRSURJSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3537457 "Beilstein" xref: Gmelin:325289 "Gmelin" xref: Reaxys:3537457 "Reaxys" is_a: CHEBI:132951 ! maleate is_a: CHEBI:37155 ! hydrogen butenedioate relationship: is_conjugate_acid_of CHEBI:30780 ! maleate(2-) [Term] id: CHEBI:37163 name: glucan namespace: chebi_ontology alt_id: CHEBI:24255 alt_id: CHEBI:5392 def: "A polysaccharide composed of glucose residues." [] subset: 3_STAR synonym: "C12H22O11(C6H10O5)n" RELATED FORMULA [KEGG_COMPOUND] synonym: "Glucan" EXACT [KEGG_COMPOUND] synonym: "glucan" EXACT IUPAC_NAME [IUPAC] synonym: "glucans" RELATED [ChEBI] xref: CAS:9037-91-6 "ChemIDplus" xref: KEGG:C01379 is_a: CHEBI:37164 ! homopolysaccharide [Term] id: CHEBI:37164 name: homopolysaccharide namespace: chebi_ontology def: "Glycans composed of a single type of monosaccharide residue. They are named by replacing the ending '-ose' of the sugar by '-an'." [] subset: 3_STAR synonym: "homoglycan" RELATED [IUPAC] synonym: "homopolysaccharide" EXACT IUPAC_NAME [IUPAC] synonym: "homopolysaccharides" RELATED [ChEBI] is_a: CHEBI:18154 ! polysaccharide [Term] id: CHEBI:37175 name: organic hydride namespace: chebi_ontology subset: 3_STAR synonym: "organic hydrides" RELATED [ChEBI] is_a: CHEBI:33692 ! hydrides [Term] id: CHEBI:37176 name: mononuclear parent hydride namespace: chebi_ontology subset: 3_STAR synonym: "mononuclear hydride" RELATED [ChEBI] synonym: "mononuclear hydrides" RELATED [IUPAC] synonym: "mononuclear parent hydrides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33692 ! hydrides [Term] id: CHEBI:37185 name: lead coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "lead coordination compounds" RELATED [ChEBI] synonym: "lead coordination entities" RELATED [ChEBI] synonym: "lead coordination entity" EXACT [ChEBI] is_a: CHEBI:33585 ! lead molecular entity is_a: CHEBI:36562 ! main-group coordination entity [Term] id: CHEBI:37193 name: elemental lead namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33585 ! lead molecular entity [Term] id: CHEBI:37206 name: hexol namespace: chebi_ontology def: "A polyol that contains 6 hydroxy groups." [] subset: 3_STAR synonym: "hexol" EXACT IUPAC_NAME [IUPAC] synonym: "hexols" RELATED [ChEBI] is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:37217 name: titanium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "titanium compounds" RELATED [ChEBI] synonym: "titanium molecular entities" RELATED [ChEBI] synonym: "titanium molecular entity" EXACT [ChEBI] is_a: CHEBI:33768 ! titanium group molecular entity relationship: has_part CHEBI:33341 ! titanium atom [Term] id: CHEBI:37240 name: adenosine 3',5'-bisphosphate namespace: chebi_ontology subset: 3_STAR synonym: "adenosine 3',5'-bisphosphates" RELATED [ChEBI] is_a: CHEBI:22251 ! adenosine bisphosphate [Term] id: CHEBI:37246 name: elemental sodium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26712 ! sodium molecular entity [Term] id: CHEBI:37247 name: elemental potassium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26217 ! potassium molecular entity [Term] id: CHEBI:37253 name: elemental zinc namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:27364 ! zinc molecular entity [Term] id: CHEBI:37261 name: cerium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "cerium compounds" RELATED [ChEBI] synonym: "cerium molecular entities" RELATED [ChEBI] synonym: "cerium molecular entity" EXACT [ChEBI] is_a: CHEBI:33775 ! lanthanoid molecular entity relationship: has_part CHEBI:33369 ! cerium [Term] id: CHEBI:37262 name: cerium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "cerium coordination compounds" RELATED [ChEBI] synonym: "cerium coordination entities" RELATED [ChEBI] synonym: "cerium coordination entity" EXACT [ChEBI] is_a: CHEBI:35728 ! lanthanoid coordination entity is_a: CHEBI:37261 ! cerium molecular entity [Term] id: CHEBI:37334 name: diagnostic imaging agent namespace: chebi_ontology def: "A substance administered to enhance contrast in images of the inside of the body obtained using X-rays, gamma-rays, sound waves, radio waves (MRI), or radioactive particles in order to diagnose disease." [] subset: 3_STAR is_a: CHEBI:33295 ! diagnostic agent [Term] id: CHEBI:37335 name: MRI contrast agent namespace: chebi_ontology subset: 1_STAR synonym: "magnetic resonance imaging contrast agent" RELATED [ChEBI] is_a: CHEBI:37334 ! diagnostic imaging agent [Term] id: CHEBI:37404 name: elemental copper namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:23377 ! copper molecular entity [Term] id: CHEBI:37416 name: EC 2.7.7.6 (RNA polymerase) inhibitor namespace: chebi_ontology def: "An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the action of RNA polymerase (EC 2.7.7.6)." [] subset: 3_STAR synonym: "C ribonucleic acid formation factors inhibitor" RELATED [ChEBI] synonym: "C ribonucleic acid formation factors inhibitors" RELATED [ChEBI] synonym: "C RNA formation factors inhibitor" RELATED [ChEBI] synonym: "C RNA formation factors inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitors" RELATED [ChEBI] synonym: "directed RNA polymerase inhibitor" RELATED [ChEBI] synonym: "DNA-dependent ribonucleate nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "DNA-dependent ribonucleate nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "DNA-dependent RNA nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "DNA-dependent RNA nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "DNA-dependent RNA polymerase inhibitor" RELATED [ChEBI] synonym: "DNA-dependent RNA polymerase inhibitors" RELATED [ChEBI] synonym: "DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "DNA-directed RNA polymerase inhibitor" RELATED [ChEBI] synonym: "DNA-directed RNA polymerase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.7.6 (RNA polymerase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.7.6 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.7.6 inhibitors" RELATED [ChEBI] synonym: "nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitor" RELATED [ChEBI] synonym: "nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitors" RELATED [ChEBI] synonym: "ribonucleate nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "ribonucleate nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "ribonucleate polymerase inhibitor" RELATED [ChEBI] synonym: "ribonucleate polymerase inhibitors" RELATED [ChEBI] synonym: "ribonucleic acid nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "ribonucleic acid nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "ribonucleic acid polymerase inhibitor" RELATED [ChEBI] synonym: "ribonucleic acid polymerase inhibitors" RELATED [ChEBI] synonym: "ribonucleic acid transcriptase inhibitor" RELATED [ChEBI] synonym: "ribonucleic acid transcriptase inhibitors" RELATED [ChEBI] synonym: "ribonucleic polymerase inhibitor" RELATED [ChEBI] synonym: "ribonucleic polymerase inhibitors" RELATED [ChEBI] synonym: "ribonucleic transcriptase inhibitor" RELATED [ChEBI] synonym: "ribonucleic transcriptase inhibitors" RELATED [ChEBI] synonym: "RNA nucleotidyltransferase (DNA-directed) inhibitor" RELATED [ChEBI] synonym: "RNA nucleotidyltransferase (DNA-directed) inhibitors" RELATED [ChEBI] synonym: "RNA nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "RNA nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "RNA polymerase (EC 2.7.7.6) inhibitor" RELATED [ChEBI] synonym: "RNA polymerase (EC 2.7.7.6) inhibitors" RELATED [ChEBI] synonym: "RNA polymerase I inhibitor" RELATED [ChEBI] synonym: "RNA polymerase I inhibitors" RELATED [ChEBI] synonym: "RNA polymerase II inhibitor" RELATED [ChEBI] synonym: "RNA polymerase II inhibitors" RELATED [ChEBI] synonym: "RNA polymerase III inhibitor" RELATED [ChEBI] synonym: "RNA polymerase III inhibitors" RELATED [ChEBI] synonym: "RNA polymerase inhibitor" RELATED [ChEBI] synonym: "RNA polymerase inhibitors" RELATED [ChEBI] synonym: "RNA transcriptase inhibitor" RELATED [ChEBI] synonym: "RNA transcriptase inhibitors" RELATED [ChEBI] synonym: "transcriptase inhibitor" RELATED [ChEBI] synonym: "transcriptase inhibitors" RELATED [ChEBI] xref: Wikipedia:RNA_polymerase is_a: CHEBI:76815 ! EC 2.7.7.* (nucleotidyltransferase) inhibitor [Term] id: CHEBI:37527 name: acid namespace: chebi_ontology alt_id: CHEBI:13800 alt_id: CHEBI:13801 alt_id: CHEBI:22209 alt_id: CHEBI:2426 def: "An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid)." [] subset: 3_STAR synonym: "Acid" EXACT [KEGG_COMPOUND] synonym: "acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide" RELATED [IUPAC] synonym: "acido" RELATED [ChEBI] synonym: "acids" RELATED [ChEBI] synonym: "an acid" RELATED [UniProt] synonym: "Saeure" RELATED [ChEBI] synonym: "Saeuren" RELATED [ChEBI] xref: KEGG:C00174 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:37528 name: sn-glycerol 1-phosphates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26707 ! glycerol phosphate [Term] id: CHEBI:37563 name: CTP(4-) namespace: chebi_ontology def: "A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of CTP; major species present at pH 7.3." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "478.953" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "479.12468" RELATED MASS [ChEBI] synonym: "C9H12N3O14P3" RELATED FORMULA [ChEBI] synonym: "CTP" RELATED [UniProt] synonym: "ctp" RELATED [ChEBI] synonym: "cytidine 5'-triphosphate(4-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1" RELATED SMILES [ChEBI] synonym: "PCDQPRRSZKQHHS-XVFCMESISA-J" RELATED InChIKey [ChEBI] xref: Beilstein:4732530 "Beilstein" xref: Gmelin:1265115 "Gmelin" is_a: CHEBI:61557 ! nucleoside triphosphate(4-) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17677 ! CTP [Term] id: CHEBI:37565 name: GTP(4-) namespace: chebi_ontology def: "A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of GTP; major species present at pH 7.3." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "518.959" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "519.14886" RELATED MASS [ChEBI] synonym: "C10H12N5O14P3" RELATED FORMULA [ChEBI] synonym: "GTP" RELATED [UniProt] synonym: "gtp" RELATED [ChEBI] synonym: "guanosine 5'-triphosphate(4-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "XKMLYUALXHKNFT-UUOKFMHZSA-J" RELATED InChIKey [ChEBI] xref: Beilstein:5211792 "Beilstein" xref: Gmelin:1264613 "Gmelin" is_a: CHEBI:61557 ! nucleoside triphosphate(4-) relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:57600 ! GTP(3-) [Term] id: CHEBI:37577 name: heteroatomic molecular entity namespace: chebi_ontology def: "A molecular entity consisting of two or more chemical elements." [] subset: 3_STAR synonym: "chemical compound" RELATED [ChEBI] synonym: "heteroatomic molecular entities" RELATED [ChEBI] is_a: CHEBI:36357 ! polyatomic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37578 name: halide namespace: chebi_ontology def: "Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements." [] subset: 3_STAR synonym: "halides" RELATED [ChEBI] xref: Wikipedia:Halide is_a: CHEBI:24471 ! halogen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:37581 name: gamma-lactone namespace: chebi_ontology alt_id: CHEBI:13194 alt_id: CHEBI:18937 alt_id: CHEBI:22971 alt_id: CHEBI:541 def: "A lactone having a five-membered lactone ring." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1,4-Lactone" RELATED [KEGG_COMPOUND] synonym: "1,4-lactones" RELATED [ChEBI] synonym: "83.013" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "83.066" RELATED MASS [ChEBI] synonym: "a 1,4-lactone" RELATED [UniProt] synonym: "butyrolactones" RELATED [ChEBI] synonym: "C4H3O2R3" RELATED FORMULA [ChEBI] synonym: "gamma-lactona" RELATED [ChEBI] synonym: "gamma-lactonas" RELATED [ChEBI] synonym: "gamma-lactones" RELATED [ChEBI] synonym: "gamma-Laktone" RELATED [ChEBI] synonym: "O1C(C(C(C1=O)*)*)*" RELATED SMILES [ChEBI] xref: PMID:18789684 "Europe PMC" is_a: CHEBI:25000 ! lactone [Term] id: CHEBI:37622 name: carboxamide namespace: chebi_ontology alt_id: CHEBI:35354 alt_id: CHEBI:35355 def: "An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "41.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "42.01680" RELATED MASS [ChEBI] synonym: "[*]C(=O)N([*])[*]" RELATED SMILES [ChEBI] synonym: "carboxamides" EXACT IUPAC_NAME [IUPAC] synonym: "carboxamides" RELATED [ChEBI] synonym: "CNOR3" RELATED FORMULA [ChEBI] synonym: "primary carboxamide" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_part CHEBI:23004 ! carbamoyl group property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.01680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.998" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)N([*])[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37659 name: oleanolic acid namespace: chebi_ontology def: "A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3beta-Hydroxyolean-12-en-28-oic acid" RELATED [KEGG_COMPOUND] synonym: "3beta-hydroxyolean-12-en-28-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "456.360" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "456.70030" RELATED MASS [ChEBI] synonym: "[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O" RELATED SMILES [ChEBI] synonym: "Astrantiagenin C" RELATED [ChemIDplus] synonym: "Astrantiagenin C" RELATED [KEGG_COMPOUND] synonym: "C30H48O3" RELATED FORMULA [ChEBI] synonym: "Caryophyllin" RELATED [ChemIDplus] synonym: "Caryophyllin" RELATED [KEGG_COMPOUND] synonym: "Giganteumgenin C" RELATED [ChemIDplus] synonym: "InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1" RELATED InChI [ChEBI] synonym: "MIJYXULNPSFWEK-GTOFXWBISA-N" RELATED InChIKey [ChEBI] synonym: "Oleanic acid" RELATED [ChemIDplus] synonym: "Virgaureagenin B" RELATED [ChemIDplus] xref: CAS:508-02-1 "ChemIDplus" xref: KEGG:C17148 xref: PMID:15541359 "Europe PMC" xref: PMID:24393202 "Europe PMC" xref: Wikipedia:Oleanolic_acid is_a: CHEBI:25872 ! pentacyclic triterpenoid is_a: CHEBI:35868 ! hydroxy monocarboxylic acid relationship: has_parent_hydride CHEBI:36481 ! oleanane relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:82828 ! oleanolate [Term] id: CHEBI:37684 name: mannose namespace: chebi_ontology alt_id: CHEBI:14575 alt_id: CHEBI:33930 def: "An aldohexose that is the C-2 epimer of glucose." [] subset: 3_STAR synonym: "C6H12O6" RELATED FORMULA [ChEBI] synonym: "Man" RELATED [JCBN] synonym: "manno-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "mannose" EXACT IUPAC_NAME [IUPAC] synonym: "mannose" EXACT [UniProt] xref: colombos:MANOSE xref: PMID:16180318 "Europe PMC" xref: PMID:24407290 "Europe PMC" is_a: CHEBI:33917 ! aldohexose relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:37690 name: allose namespace: chebi_ontology alt_id: CHEBI:33927 alt_id: CHEBI:33935 def: "An aldohexose that is the C-3 epimer of glucose." [] subset: 3_STAR synonym: "All" RELATED [JCBN] synonym: "allo-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "allose" EXACT IUPAC_NAME [IUPAC] synonym: "C6H12O6" RELATED FORMULA [ChEBI] xref: PMID:24696548 "Europe PMC" xref: Wikipedia:Allose is_a: CHEBI:33917 ! aldohexose relationship: has_role CHEBI:76924 ! plant metabolite [Term] id: CHEBI:37699 name: protein kinase inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases." [] subset: 3_STAR synonym: "protein kinase inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:37733 name: EC 3.1.1.8 (cholinesterase) inhibitor namespace: chebi_ontology def: "An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8)." [] subset: 3_STAR synonym: "anticholineesterase inhibitor" RELATED [ChEBI] synonym: "anticholineesterase inhibitors" RELATED [ChEBI] synonym: "anticholinesterase" RELATED [ChEBI] synonym: "anticholinesterases" RELATED [ChEBI] synonym: "BChE inhibitor" RELATED [ChEBI] synonym: "BChE inhibitors" RELATED [ChEBI] synonym: "benzoylcholinesterase inhibitor" RELATED [ChEBI] synonym: "benzoylcholinesterase inhibitors" RELATED [ChEBI] synonym: "BtChoEase inhibitor" RELATED [ChEBI] synonym: "BtChoEase inhibitors" RELATED [ChEBI] synonym: "butyrylcholine esterase inhibitor" RELATED [ChEBI] synonym: "butyrylcholine esterase inhibitors" RELATED [ChEBI] synonym: "butyrylcholinesterase inhibitor" RELATED [ChEBI] synonym: "butyrylcholinesterase inhibitors" RELATED [ChEBI] synonym: "choline esterase II (unspecific) inhibitor" RELATED [ChEBI] synonym: "choline esterase II (unspecific) inhibitors" RELATED [ChEBI] synonym: "choline esterase inhibitor" RELATED [ChEBI] synonym: "choline esterase inhibitors" RELATED [ChEBI] synonym: "cholinesterase (EC 3.1.1.8) inhibitor" RELATED [ChEBI] synonym: "cholinesterase (EC 3.1.1.8) inhibitors" RELATED [ChEBI] synonym: "cholinesterase inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.8 (cholinesterase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.8 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.8 inhibitors" RELATED [ChEBI] synonym: "non-specific cholinesterase inhibitor" RELATED [ChEBI] synonym: "non-specific cholinesterase inhibitors" RELATED [ChEBI] synonym: "propionylcholinesterase inhibitor" RELATED [ChEBI] synonym: "propionylcholinesterase inhibitors" RELATED [ChEBI] synonym: "pseudocholinesterase inhibitor" RELATED [ChEBI] synonym: "pseudocholinesterase inhibitors" RELATED [ChEBI] is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:37734 name: phosphoric ester namespace: chebi_ontology alt_id: CHEBI:26019 subset: 1_STAR synonym: "phosphate esters" RELATED [ChEBI] synonym: "phosphoric esters" RELATED [ChEBI] is_a: CHEBI:26079 ! phosphoric acid derivative is_a: CHEBI:35701 ! ester [Term] id: CHEBI:37749 name: halogen oxide namespace: chebi_ontology subset: 3_STAR synonym: "halogen oxide" EXACT [ChEBI] synonym: "halogen oxides" RELATED [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity is_a: CHEBI:24836 ! inorganic oxide [Term] id: CHEBI:37750 name: chlorine oxide namespace: chebi_ontology subset: 3_STAR synonym: "chlorine oxides" RELATED [ChEBI] is_a: CHEBI:37749 ! halogen oxide [Term] id: CHEBI:37806 name: penicillanic acid namespace: chebi_ontology def: "A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration." [] subset: 3_STAR synonym: "(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,2-dimethylpenam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "201.046" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "201.24388" RELATED MASS [ChEBI] synonym: "[H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2" RELATED SMILES [ChEBI] synonym: "C8H11NO3S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1" RELATED InChI [ChEBI] synonym: "penicillanic acid" EXACT [ChemIDplus] synonym: "RBKMMJSQKNKNEV-RITPCOANSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:4677775 "Beilstein" xref: CAS:87-53-6 "ChemIDplus" xref: Reaxys:4677775 "Reaxys" is_a: CHEBI:25865 ! penicillanic acids [Term] id: CHEBI:37808 name: butane namespace: chebi_ontology alt_id: CHEBI:22945 alt_id: CHEBI:25462 alt_id: CHEBI:44430 def: "A straight chain alkane composed of 4 carbon atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "58.078" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "58.12220" RELATED MASS [ChEBI] synonym: "butane" EXACT IUPAC_NAME [IUPAC] synonym: "butane" EXACT [UniProt] synonym: "C4H10" RELATED FORMULA [ChEBI] synonym: "CCCC" RELATED SMILES [ChEBI] synonym: "E 943a" RELATED [ChEBI] synonym: "E-943a" RELATED [ChEBI] synonym: "E943a" RELATED [ChEBI] synonym: "IJDNQMDRQITEOD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" RELATED InChI [ChEBI] synonym: "n-Butan" RELATED [ChEBI] synonym: "N-BUTANE" RELATED [PDBeChem] synonym: "n-butane" RELATED [NIST_Chemistry_WebBook] synonym: "n-C4H10" RELATED [NIST_Chemistry_WebBook] synonym: "R-600" RELATED [ChEBI] xref: Beilstein:969129 "Beilstein" xref: CAS:106-97-8 "NIST Chemistry WebBook" xref: Gmelin:1148 "Gmelin" xref: PDBeChem:NBU xref: PMID:24179026 "Europe PMC" xref: Reaxys:969129 "Reaxys" xref: Wikipedia:Butane is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:78017 ! food propellant relationship: has_role CHEBI:78433 ! refrigerant [Term] id: CHEBI:37826 name: sulfuric acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "sulfuric acid derivative" EXACT [ChEBI] synonym: "sulfuric acid derivatives" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative relationship: has_functional_parent CHEBI:26836 ! sulfuric acid [Term] id: CHEBI:37827 name: thiosulfuric acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "thiosulfuric acid derivatives" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative [Term] id: CHEBI:37838 name: carboacyl group namespace: chebi_ontology def: "A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid." [] subset: 3_STAR synonym: "carboacyl groups" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acyl group" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acyl groups" RELATED [IUPAC] is_a: CHEBI:22221 ! acyl group relationship: is_substituent_group_from CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:37848 name: plant hormone namespace: chebi_ontology alt_id: CHEBI:26158 def: "A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "phytohormone" RELATED [ChEBI] synonym: "phytohormones" RELATED [ChEBI] synonym: "plant growth factor" RELATED [ChEBI] synonym: "plant growth factors" RELATED [ChEBI] synonym: "plant growth hormone" RELATED [ChEBI] synonym: "plant growth hormones" RELATED [ChEBI] synonym: "plant hormones" RELATED [ChEBI] xref: Wikipedia:Phytohormone is_a: CHEBI:24621 ! hormone is_a: CHEBI:26155 ! plant growth regulator [Term] id: CHEBI:37912 name: hydroxycoumarin namespace: chebi_ontology alt_id: CHEBI:24691 alt_id: CHEBI:24692 def: "Any coumarin carrying at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxycoumarins" RELATED [ChEBI] is_a: CHEBI:23403 ! coumarins [Term] id: CHEBI:37929 name: xanthene dye namespace: chebi_ontology def: "A dye derived by condensation of phthalic anhydride with resorcinol (and derivatives) or m-aminophenol (and derivatives)." [] subset: 3_STAR synonym: "xanthene dyes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:38835 ! xanthenes relationship: has_role CHEBI:37958 ! dye [Term] id: CHEBI:37955 name: H1-receptor antagonist namespace: chebi_ontology def: "H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine." [] subset: 3_STAR synonym: "classical antihistamines" RELATED [ChEBI] synonym: "classical antihistaminics" RELATED [ChEBI] synonym: "H1 antihistaminics" RELATED [ChEBI] synonym: "H1 receptor antagonists" RELATED [IUPHAR] synonym: "H1 receptor blockaders" RELATED [ChEBI] synonym: "H1-receptor antagonists" RELATED [ChEBI] synonym: "H1-receptor blocker" RELATED [ChEBI] synonym: "H1-receptor blockers" RELATED [ChEBI] xref: PMID:22035879 "Europe PMC" is_a: CHEBI:37956 ! histamine antagonist [Term] id: CHEBI:37956 name: histamine antagonist namespace: chebi_ontology def: "Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists." [] subset: 3_STAR synonym: "antihistamine" RELATED [ChEBI] synonym: "antihistamines" RELATED [ChEBI] synonym: "antihistaminico" RELATED [ChEBI] synonym: "antihistaminics" RELATED [ChEBI] synonym: "histamine receptor blocker" RELATED [ChEBI] synonym: "histamine receptor blockers" RELATED [ChEBI] xref: PMID:22035879 "Europe PMC" xref: Wikipedia:Antihistamines is_a: CHEBI:37957 ! histaminergic drug [Term] id: CHEBI:37957 name: histaminergic drug namespace: chebi_ontology def: "Drugs used for their actions on histaminergic systems." [] subset: 3_STAR synonym: "histamine agents" RELATED [ChEBI] synonym: "histamine drugs" RELATED [ChEBI] synonym: "histaminergic agent" RELATED [ChEBI] synonym: "histaminergic agents" RELATED [ChEBI] synonym: "histaminergic drugs" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:37958 name: dye namespace: chebi_ontology subset: 3_STAR synonym: "colorante" RELATED [ChEBI] synonym: "colorantes" RELATED [ChEBI] synonym: "dyes" RELATED [ChEBI] synonym: "Farbstoff" RELATED [ChEBI] synonym: "Farbstoffe" RELATED [ChEBI] synonym: "teinture" RELATED [ChEBI] synonym: "teintures" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:38037 name: methanesulfonate salt namespace: chebi_ontology subset: 3_STAR synonym: "mesylate salt" RELATED [ChEBI] synonym: "mesylate salts" RELATED [ChEBI] synonym: "methanesulfonate salts" RELATED [ChEBI] is_a: CHEBI:48544 ! methanesulfonates is_a: CHEBI:64382 ! organosulfonate salt [Term] id: CHEBI:38070 name: anti-arrhythmia drug namespace: chebi_ontology def: "A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres." [] subset: 3_STAR synonym: "antiarrhythmic agent" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:38093 name: phenothiazines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26979 ! organic heterotricyclic compound [Term] id: CHEBI:38101 name: organonitrogen heterocyclic compound namespace: chebi_ontology def: "Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms." [] subset: 3_STAR synonym: "heterocyclic organonitrogen compounds" RELATED [ChEBI] synonym: "organonitrogen heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:35352 ! organonitrogen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38104 name: oxacycle namespace: chebi_ontology def: "Any organic heterocyclic compound containing at least one ring oxygen atom." [] subset: 3_STAR synonym: "heterocyclic organooxygen compounds" RELATED [ChEBI] synonym: "organooxygen heterocyclic compounds" RELATED [ChEBI] synonym: "oxacycles" RELATED [ChEBI] xref: PMID:17134300 "Europe PMC" is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38106 name: organosulfur heterocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterocyclic organosulfur compounds" RELATED [ChEBI] synonym: "organosulfur heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:38131 name: lactol namespace: chebi_ontology def: "Cyclic hemiacetals formed by intramolecular addition of a hydroxy group to an aldehydic or ketonic carbonyl group. They are thus 1-oxacycloalkan-2-ols or unsaturated analogues." [] subset: 3_STAR synonym: "lactol" EXACT [IUPAC] synonym: "lactols" EXACT IUPAC_NAME [IUPAC] synonym: "lactols" RELATED [ChEBI] is_a: CHEBI:5653 ! hemiacetal [Term] id: CHEBI:38157 name: iron chelator namespace: chebi_ontology subset: 3_STAR synonym: "iron chelating agents" RELATED [ChEBI] synonym: "iron chelators" RELATED [ChEBI] is_a: CHEBI:38161 ! chelator [Term] id: CHEBI:38161 name: chelator namespace: chebi_ontology alt_id: CHEBI:23090 alt_id: CHEBI:3585 alt_id: CHEBI:6789 def: "A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate." [] subset: 3_STAR synonym: "Chelating agent" RELATED [KEGG_COMPOUND] synonym: "chelating agents" RELATED [ChEBI] synonym: "chelators" RELATED [ChEBI] synonym: "complexon" RELATED [ChEBI] synonym: "Metal chelator" RELATED [KEGG_COMPOUND] xref: KEGG:C00917 xref: KEGG:C02169 is_a: CHEBI:52214 ! ligand [Term] id: CHEBI:38163 name: organic heterotetracyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic heterotetracyclic compounds" RELATED [ChEBI] is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:38166 name: organic heteropolycyclic compound namespace: chebi_ontology alt_id: CHEBI:25429 alt_id: CHEBI:38075 subset: 3_STAR synonym: "organic heteropolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33671 ! heteropolycyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38179 name: monocyclic heteroarene namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic heteroarenes" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene [Term] id: CHEBI:38180 name: polycyclic heteroarene namespace: chebi_ontology subset: 3_STAR synonym: "polycyclic heteroarenes" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene [Term] id: CHEBI:38215 name: calcium channel blocker namespace: chebi_ontology def: "One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools." [] subset: 3_STAR synonym: "calcium channel antagonist" RELATED [ChEBI] synonym: "calcium channel antagonists" RELATED [ChEBI] synonym: "calcium channel blockers" RELATED [ChEBI] is_a: CHEBI:38808 ! calcium channel modulator [Term] id: CHEBI:38222 name: hydrocarbyl anion namespace: chebi_ontology subset: 1_STAR synonym: "hydrocarbyl anion" EXACT [ChEBI] synonym: "hydrocarbyl anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:38260 name: pyrrolidines namespace: chebi_ontology alt_id: CHEBI:26922 alt_id: CHEBI:38191 def: "Any of a class of heterocyclic amines having a saturated five-membered ring." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38261 name: imidazolidines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38304 ! diazolidine [Term] id: CHEBI:38263 name: 2-amino-3-hydroxybutanoic acid namespace: chebi_ontology def: "An alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "119.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "119.11920" RELATED MASS [ChEBI] synonym: "2-amino-3-hydroxybutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "AYFVYJQAPQTCCC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C4H9NO3" RELATED FORMULA [ChEBI] synonym: "CC(O)C(N)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)" RELATED InChI [ChEBI] xref: Beilstein:1098902 "Beilstein" is_a: CHEBI:33704 ! alpha-amino acid relationship: has_role CHEBI:76924 ! plant metabolite [Term] id: CHEBI:38264 name: 2-amino-3-methylpentanoic acid namespace: chebi_ontology def: "A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "131.095" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "131.17296" RELATED MASS [ChEBI] synonym: "2-amino-3-methylpentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "AGPKZVBTJJNPAG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C6H13NO2" RELATED FORMULA [ChEBI] synonym: "CCC(C)C(N)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)" RELATED InChI [ChEBI] xref: CAS:443-79-8 "KEGG COMPOUND" xref: KEGG:C16434 xref: PMID:10944265 "Europe PMC" xref: Reaxys:1721790 "Reaxys" is_a: CHEBI:22918 ! branched-chain amino acid is_a: CHEBI:33704 ! alpha-amino acid [Term] id: CHEBI:38290 name: L-ascorbate namespace: chebi_ontology alt_id: CHEBI:13082 alt_id: CHEBI:13861 def: "The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants." [] subset: 3_STAR synonym: "(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "175.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "175.11618" RELATED MASS [ChEBI] synonym: "[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO" RELATED SMILES [ChEBI] synonym: "Ascorbate" RELATED [KEGG_COMPOUND] synonym: "C6H7O6" RELATED FORMULA [ChEBI] synonym: "CIWBSHSKHKDKBQ-JLAZNSOCSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1/t2-,5+/m0/s1" RELATED InChI [ChEBI] synonym: "L-Ascorbate" EXACT [KEGG_COMPOUND] synonym: "L-ascorbate" EXACT [UniProt] synonym: "L-ascorbate(1-)" RELATED [ChEBI] synonym: "L-ascorbic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Vitamin C" RELATED [KEGG_COMPOUND] xref: Beilstein:3549814 "Beilstein" xref: CAS:299-36-5 "ChemIDplus" xref: Gmelin:506552 "Gmelin" xref: KEGG:C00072 xref: PMID:18450228 "Europe PMC" xref: PMID:18678913 "Europe PMC" xref: PMID:19162177 "Europe PMC" xref: PMID:9506998 "Europe PMC" is_a: CHEBI:22651 ! ascorbate relationship: has_role CHEBI:27314 ! water-soluble vitamin relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_base_of CHEBI:29073 ! L-ascorbic acid [Term] id: CHEBI:38295 name: azabicycloalkane namespace: chebi_ontology subset: 3_STAR synonym: "azabicycloalkanes" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38297 name: thiabicycloalkane namespace: chebi_ontology subset: 3_STAR synonym: "thiabicycloalkanes" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:38303 name: azirinopyrroloindole namespace: chebi_ontology subset: 3_STAR synonym: "azirinopyrroloindoles" RELATED [ChEBI] is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38163 ! organic heterotetracyclic compound [Term] id: CHEBI:38304 name: diazolidine namespace: chebi_ontology subset: 3_STAR synonym: "diazolidines" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38311 name: cephem namespace: chebi_ontology subset: 3_STAR synonym: "cephems" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:27933 ! beta-lactam antibiotic is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:38313 name: diazines namespace: chebi_ontology def: "Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure)." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38323 name: cholinergic drug namespace: chebi_ontology def: "Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons." [] subset: 3_STAR synonym: "cholinergic agent" RELATED [ChEBI] synonym: "cholinergic drugs" RELATED [ChEBI] synonym: "cholinomimetic" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:38337 name: pyrimidone namespace: chebi_ontology def: "A pyrimidine carrying one or more oxo substituents." [] subset: 3_STAR synonym: "pyrimidones" RELATED [ChEBI] is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:38338 name: aminopyrimidine namespace: chebi_ontology def: "A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives." [] subset: 3_STAR synonym: "aminopyrimidines" RELATED [ChEBI] is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:38418 name: 1,3-thiazole namespace: chebi_ontology alt_id: CHEBI:26949 alt_id: CHEBI:38417 subset: 3_STAR synonym: "1,3-thiazoles" RELATED [ChEBI] is_a: CHEBI:48901 ! thiazoles [Term] id: CHEBI:38443 name: 1-benzopyran namespace: chebi_ontology subset: 3_STAR synonym: "1-benzopyrans" RELATED [ChEBI] is_a: CHEBI:22727 ! benzopyran [Term] id: CHEBI:38445 name: chromenone namespace: chebi_ontology subset: 3_STAR synonym: "chromenones" RELATED [ChEBI] is_a: CHEBI:23232 ! chromenes [Term] id: CHEBI:38462 name: EC 3.1.1.7 (acetylcholinesterase) inhibitor namespace: chebi_ontology def: "An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid." [] subset: 3_STAR synonym: "AcCholE inhibitor" RELATED [ChEBI] synonym: "AcCholE inhibitors" RELATED [ChEBI] synonym: "acetyl.beta-methylcholinesterase inhibitor" RELATED [ChEBI] synonym: "acetyl.beta-methylcholinesterase inhibitors" RELATED [ChEBI] synonym: "acetylcholine acetylhydrolase inhibitor" RELATED [ChEBI] synonym: "acetylcholine acetylhydrolase inhibitors" RELATED [ChEBI] synonym: "acetylcholine esterase inhibitor" RELATED [ChEBI] synonym: "acetylcholine hydrolase inhibitor" RELATED [ChEBI] synonym: "acetylcholine hydrolase inhibitors" RELATED [ChEBI] synonym: "acetylcholinesterase (EC 3.1.1.7) inhibitor" RELATED [ChEBI] synonym: "acetylcholinesterase (EC 3.1.1.7) inhibitors" RELATED [ChEBI] synonym: "acetylcholinesterase inhibitor" RELATED [ChEBI] synonym: "acetylcholinesterase inhibitors" RELATED [ChEBI] synonym: "acetylthiocholinesterase inhibitor" RELATED [ChEBI] synonym: "acetylthiocholinesterase inhibitors" RELATED [ChEBI] synonym: "AChEI" RELATED [ChEBI] synonym: "choline esterase I inhibitor" RELATED [ChEBI] synonym: "choline esterase I inhibitors" RELATED [ChEBI] synonym: "cholinesterase inhibitor" RELATED [ChEBI] synonym: "cholinesterase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.7 (acetylcholinesterase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.7 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.7 inhibitors" RELATED [ChEBI] synonym: "true cholinesterase inhibitor" RELATED [ChEBI] synonym: "true cholinesterase inhibitors" RELATED [ChEBI] xref: Wikipedia:Acetylcholinesterase_inhibitor is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:38468 name: indol-3-yl carboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "indol-3-yl carboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] id: CHEBI:38496 name: electron-transport chain inhibitor namespace: chebi_ontology subset: 1_STAR synonym: "electron transport chain inhibitors" RELATED [ChEBI] synonym: "ETC inhibitor" RELATED [ChEBI] is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:38497 name: respiratory-chain inhibitor namespace: chebi_ontology subset: 1_STAR synonym: "respiratory chain inhibitor" RELATED [ChEBI] synonym: "respiratory electron-transport chain inhibitor" RELATED [ChEBI] synonym: "respiratory-chain inhibitors" RELATED [ChEBI] is_a: CHEBI:38496 ! electron-transport chain inhibitor [Term] id: CHEBI:38500 name: EC 1.9.3.1 (cytochrome c oxidase) inhibitor namespace: chebi_ontology alt_id: CHEBI:38501 alt_id: CHEBI:62966 def: "An EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor that interferes with the action of cytochrome c oxidase (EC 1.9.3.1)." [] subset: 3_STAR synonym: "CcO inhibitor" RELATED [ChEBI] synonym: "complex IV (mitochondrial electron transport) inhibitor" RELATED [ChEBI] synonym: "complex IV (mitochondrial electron transport) inhibitors" RELATED [ChEBI] synonym: "cytochrome a3 inhibitor" RELATED [ChEBI] synonym: "cytochrome a3 inhibitors" RELATED [ChEBI] synonym: "cytochrome aa3 inhibitor" RELATED [ChEBI] synonym: "cytochrome aa3 inhibitors" RELATED [ChEBI] synonym: "cytochrome c oxidase (EC 1.9.3.1) inhibitor" RELATED [ChEBI] synonym: "cytochrome c oxidase (EC 1.9.3.1) inhibitors" RELATED [ChEBI] synonym: "cytochrome c oxidase inhibitor" RELATED [ChEBI] synonym: "cytochrome c oxidase inhibitors" RELATED [ChEBI] synonym: "cytochrome oxidase inhibitor" RELATED [ChEBI] synonym: "cytochrome oxidase inhibitors" RELATED [ChEBI] synonym: "cytochrome-c oxidase inhibitor" RELATED [ChEBI] synonym: "cytochrome-c oxidase inhibitors" RELATED [ChEBI] synonym: "EC 1.9.3.1 (cytochrome c oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.9.3.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.9.3.1 inhibitors" RELATED [ChEBI] synonym: "ferrocytochrome c oxidase inhibitor" RELATED [ChEBI] synonym: "ferrocytochrome c oxidase inhibitors" RELATED [ChEBI] synonym: "ferrocytochrome-c:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "ferrocytochrome-c:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "indophenol oxidase inhibitor" RELATED [ChEBI] synonym: "indophenol oxidase inhibitors" RELATED [ChEBI] synonym: "indophenolase inhibitor" RELATED [ChEBI] synonym: "indophenolase inhibitors" RELATED [ChEBI] synonym: "mitochondrial complex IV inhibitor" RELATED [ChEBI] synonym: "mitochondrial complex IV inhibitors" RELATED [ChEBI] synonym: "mitochondrial cytochrome-c oxidase inhibitors" RELATED [ChEBI] synonym: "NADH cytochrome c oxidase inhibitor" RELATED [ChEBI] synonym: "NADH cytochrome c oxidase inhibitors" RELATED [ChEBI] synonym: "Warburg's respiratory enzyme inhibitor" RELATED [ChEBI] synonym: "Warburg's respiratory enzyme inhibitors" RELATED [ChEBI] xref: PMID:12969439 "Europe PMC" xref: Wikipedia:Cytochrome_c_oxidase is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor is_a: CHEBI:76870 ! EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor [Term] id: CHEBI:38532 name: hydrazone namespace: chebi_ontology def: "Compounds having the structure R2C=NNR2, formally derived from aldehydes or ketones by replacing =O by =NNH2 (or substituted analogues)." [] subset: 3_STAR synonym: "hydrazones" EXACT IUPAC_NAME [IUPAC] synonym: "hydrazones" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:38623 name: EC 1.4.3.4 (monoamine oxidase) inhibitor namespace: chebi_ontology def: "An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4)." [] subset: 3_STAR synonym: "adrenalin oxidase inhibitor" RELATED [ChEBI] synonym: "adrenalin oxidase inhibitors" RELATED [ChEBI] synonym: "adrenaline oxidase inhibitor" RELATED [ChEBI] synonym: "adrenaline oxidase inhibitors" RELATED [ChEBI] synonym: "amine oxidase (flavin-containing) inhibitor" RELATED [ChEBI] synonym: "amine oxidase (flavin-containing) inhibitors" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) inhibitor" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.4 (monoamine oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.4 inhibitor" RELATED [ChEBI] synonym: "EC 1.4.3.4 inhibitors" RELATED [ChEBI] synonym: "epinephrine oxidase inhibitor" RELATED [ChEBI] synonym: "epinephrine oxidase inhibitors" RELATED [ChEBI] synonym: "MAO A inhibitor" RELATED [ChEBI] synonym: "MAO A inhibitors" RELATED [ChEBI] synonym: "MAO B inhibitor" RELATED [ChEBI] synonym: "MAO B inhibitors" RELATED [ChEBI] synonym: "MAO inhibitor" RELATED [ChEBI] synonym: "MAO inhibitors" RELATED [ChEBI] synonym: "MAO-A inhibitor" RELATED [ChEBI] synonym: "MAO-A inhibitors" RELATED [ChEBI] synonym: "MAO-B inhibitor" RELATED [ChEBI] synonym: "MAO-B inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase (EC 1.4.3.4) inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase (EC 1.4.3.4) inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase A inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase A inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase B inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase B inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase inhibitors" RELATED [ChEBI] synonym: "monoamine:O2 oxidoreductase (deaminating) inhibitor" RELATED [ChEBI] synonym: "monoamine:O2 oxidoreductase (deaminating) inhibitors" RELATED [ChEBI] synonym: "serotonin deaminase inhibitor" RELATED [ChEBI] synonym: "serotonin deaminase inhibitors" RELATED [ChEBI] synonym: "tyraminase inhibitor" RELATED [ChEBI] synonym: "tyraminase inhibitors" RELATED [ChEBI] synonym: "tyramine oxidase inhibitor" RELATED [ChEBI] synonym: "tyramine oxidase inhibitors" RELATED [ChEBI] xref: Wikipedia:Monoamine_oxidase_inhibitor is_a: CHEBI:76861 ! EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor [Term] id: CHEBI:38627 name: diazine namespace: chebi_ontology def: "The parent structure of the diazines." [] subset: 3_STAR synonym: "C4H4N2" RELATED FORMULA [ChEBI] synonym: "Diazin" RELATED [ChEBI] is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent is_a: CHEBI:38179 ! monocyclic heteroarene is_a: CHEBI:38313 ! diazines is_a: CHEBI:50893 ! azaarene [Term] id: CHEBI:38631 name: aminoalkylindole namespace: chebi_ontology alt_id: CHEBI:22503 alt_id: CHEBI:24792 subset: 3_STAR synonym: "aminoalkylindoles" RELATED [ChEBI] is_a: CHEBI:24828 ! indoles [Term] id: CHEBI:38632 name: membrane transport modulator namespace: chebi_ontology def: "Any agent that affects the transport of molecular entities across a biological membrane." [] subset: 3_STAR synonym: "membrane transport modulators" RELATED [ChEBI] is_a: CHEBI:52208 ! biophysical role [Term] id: CHEBI:38700 name: organic sodium salt namespace: chebi_ontology subset: 3_STAR synonym: "organic sodium salt" EXACT [ChEBI] synonym: "organic sodium salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt is_a: CHEBI:26714 ! sodium salt [Term] id: CHEBI:38702 name: inorganic sodium salt namespace: chebi_ontology subset: 3_STAR synonym: "inorganic sodium salts" RELATED [ChEBI] is_a: CHEBI:24839 ! inorganic salt is_a: CHEBI:26714 ! sodium salt [Term] id: CHEBI:38716 name: carboxylic acid dianion namespace: chebi_ontology def: "Any dianion containing at least one carboxy group." [] subset: 3_STAR synonym: "carboxylic acid dianion" EXACT [ChEBI] synonym: "carboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:38717 name: carboxylic acid trianion namespace: chebi_ontology def: "A trianion containing at least one carboxy group." [] subset: 3_STAR synonym: "carboxylic acid trianion" EXACT [ChEBI] synonym: "carboxylic acid trianions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:38751 name: triamine namespace: chebi_ontology def: "Any polyamine that contained three amino groups." [] subset: 3_STAR synonym: "triamines" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:88061 ! polyamine [Term] id: CHEBI:38773 name: quinolinemonocarboxylate namespace: chebi_ontology def: "A monocarboxylic acid anion that is the monoanion obtained by the deprotonation of the carboxy group attached to the quinoline skeleton" [] subset: 3_STAR synonym: "quinolinemonocarboxylates" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:26512 ! quinolinemonocarboxylic acid [Term] id: CHEBI:38780 name: N-nitro compound namespace: chebi_ontology def: "A compound having the nitro group (-NO2) attached to a nitrogen atom." [] subset: 3_STAR synonym: "N-nitro compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35715 ! nitro compound [Term] id: CHEBI:38785 name: morpholines namespace: chebi_ontology def: "Any compound containing morpholine as part of its structure." [] subset: 3_STAR is_a: CHEBI:46952 ! oxazinane [Term] id: CHEBI:38808 name: calcium channel modulator namespace: chebi_ontology def: "A membrane transport modulator that is able to regulate intracellular calcium levels." [] subset: 3_STAR synonym: "calcium channel modulators" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:38835 name: xanthenes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:39203 ! dibenzopyran [Term] id: CHEBI:38867 name: anaesthetic namespace: chebi_ontology def: "Substance which produces loss of feeling or sensation." [] subset: 3_STAR synonym: "anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "anaesthetics" RELATED [ChEBI] synonym: "Anaesthetika" RELATED [ChEBI] synonym: "Anaesthetikum" RELATED [ChEBI] synonym: "anesthetic agent" RELATED [ChEBI] synonym: "anesthetic drug" RELATED [ChEBI] synonym: "anesthetics" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:38975 name: methylbenzene namespace: chebi_ontology def: "Any alkylbenzene that is benzene substituted with one or more methyl groups." [] subset: 3_STAR synonym: "methylbenzenes" RELATED [ChEBI] is_a: CHEBI:38976 ! alkylbenzene [Term] id: CHEBI:38976 name: alkylbenzene namespace: chebi_ontology def: "A monocyclic arene that is benzene substituted with one or more alkyl groups." [] subset: 3_STAR synonym: "alkylbenzene" EXACT [ChEBI] synonym: "alkylbenzenes" RELATED [ChEBI] synonym: "Alkylbenzol" RELATED [ChEBI] is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33847 ! monocyclic arene relationship: has_parent_hydride CHEBI:16716 ! benzene [Term] id: CHEBI:39011 name: Good's buffer substance namespace: chebi_ontology def: "Any member of a collection of zwitterionic buffer substances selected or devised for suitability in experimental biological systems according to a number of predetermined criteria. Named after Dr. Norman Good." [] subset: 3_STAR synonym: "Good buffer substance" RELATED [ChEBI] synonym: "Good's buffer" RELATED [ChEBI] synonym: "Good's buffers" RELATED [ChEBI] xref: Wikipedia:Good's_buffers is_a: CHEBI:35225 ! buffer [Term] id: CHEBI:39074 name: MOPS namespace: chebi_ontology def: "An oxygen molecular entity that acts as an excellent buffer for many biological systems at near-neutral pH." [] subset: 3_STAR is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_role CHEBI:39011 ! Good's buffer substance [Term] id: CHEBI:39141 name: Bronsted acid namespace: chebi_ontology def: "A molecular entity capable of donating a hydron to an acceptor (Bronsted base)." [] subset: 3_STAR synonym: "acide de Bronsted" RELATED [IUPAC] synonym: "Bronsted acid" EXACT IUPAC_NAME [IUPAC] synonym: "Bronsted-Saeure" RELATED [ChEBI] synonym: "donneur d'hydron" RELATED [IUPAC] synonym: "hydron donor" RELATED [IUPAC] is_a: CHEBI:17891 ! donor is_a: CHEBI:37527 ! acid [Term] id: CHEBI:39142 name: Bronsted base namespace: chebi_ontology def: "A molecular entity capable of accepting a hydron from a donor (Bronsted acid)." [] subset: 3_STAR synonym: "accepteur d'hydron" RELATED [IUPAC] synonym: "base de Bronsted" RELATED [IUPAC] synonym: "Bronsted base" EXACT IUPAC_NAME [IUPAC] synonym: "Bronsted-Base" RELATED [ChEBI] synonym: "hydron acceptor" RELATED [IUPAC] is_a: CHEBI:15339 ! acceptor is_a: CHEBI:22695 ! base [Term] id: CHEBI:39143 name: Lewis acid namespace: chebi_ontology def: "A molecular entity that is an electron-pair acceptor and therefore able to form a covalent bond with an electron-pair donor (Lewis base), thereby producing a Lewis adduct." [] subset: 3_STAR synonym: "accepteur d'une paire d'electrons" RELATED [IUPAC] synonym: "acide de Lewis" RELATED [IUPAC] synonym: "electron acceptor" RELATED [ChEBI] synonym: "electron-pair acceptor" RELATED [IUPAC] synonym: "Lewis acid" EXACT IUPAC_NAME [IUPAC] synonym: "Lewis-Saeure" RELATED [ChEBI] is_a: CHEBI:15339 ! acceptor is_a: CHEBI:37527 ! acid [Term] id: CHEBI:39144 name: Lewis base namespace: chebi_ontology def: "A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct." [] subset: 3_STAR synonym: "base de Lewis" RELATED [IUPAC] synonym: "donneur d'une paire d'electrons" RELATED [ChEBI] synonym: "electron donor" RELATED [ChEBI] synonym: "Lewis base" EXACT IUPAC_NAME [IUPAC] synonym: "Lewis-Base" RELATED [ChEBI] is_a: CHEBI:17891 ! donor is_a: CHEBI:22695 ! base [Term] id: CHEBI:39179 name: nitroguanidine namespace: chebi_ontology def: "An N-nitro compound that is guanidine in which one of the hydrogens is replaced by a nitro group. It can exist in distinct tautomeric forms, as 1-nitroguanidine (a nitroimine) or 2-nitroguanidine (a nitroamine); in both solid and in solution, the nitroimine form predominates." [] subset: 3_STAR synonym: "CH4N4O2" RELATED FORMULA [ChEBI] synonym: "nitroguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "picrite" RELATED [NIST_Chemistry_WebBook] xref: CAS:556-88-7 "ChemIDplus" xref: Wikipedia:Nitroguanidine is_a: CHEBI:38780 ! N-nitro compound relationship: has_functional_parent CHEBI:42820 ! guanidine relationship: has_functional_parent CHEBI:616459 ! carbamimidoylazanium relationship: has_role CHEBI:63490 ! explosive [Term] id: CHEBI:39203 name: dibenzopyran namespace: chebi_ontology def: "Any organic heteropolycyclic compound based on a skeleton consisting of a pyran ring fused with two benzene rings." [] subset: 3_STAR synonym: "dibenzopyrans" RELATED [ChEBI] is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:39206 name: dibenzopyridine namespace: chebi_ontology subset: 3_STAR synonym: "dibenzopyridines" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:39270 name: naphthofuran namespace: chebi_ontology subset: 3_STAR synonym: "naphthofurans" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:39317 name: growth regulator namespace: chebi_ontology def: "Any chemical substance that inhibits the life-cycle of an organism." [] subset: 3_STAR synonym: "growth regulators" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:39352 name: dinitrophenol namespace: chebi_ontology def: "Members of the class of nitrophenol carrying two nitro substituents." [] subset: 3_STAR synonym: "C6H4N2O5" RELATED FORMULA [ChEBI] synonym: "dinitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "dinitrophenols" RELATED [ChEBI] xref: CAS:25550-58-7 "ChemIDplus" is_a: CHEBI:25562 ! nitrophenol [Term] id: CHEBI:39418 name: straight-chain saturated fatty acid namespace: chebi_ontology def: "Any saturated fatty acid lacking a side-chain." [] subset: 3_STAR synonym: "straight-chain saturated fatty acid" EXACT [ChEBI] synonym: "straight-chain saturated fatty acids" RELATED [ChEBI] xref: PMID:15644336 "Europe PMC" is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:59202 ! straight-chain fatty acid relationship: is_conjugate_acid_of CHEBI:58954 ! straight-chain saturated fatty acid anion [Term] id: CHEBI:39446 name: pyrimidine ribonucleosides namespace: chebi_ontology alt_id: CHEBI:13784 alt_id: CHEBI:26445 alt_id: CHEBI:7263 subset: 3_STAR is_a: CHEBI:18254 ! ribonucleoside is_a: CHEBI:26440 ! pyrimidine nucleoside [Term] id: CHEBI:39447 name: pyrimidines namespace: chebi_ontology alt_id: CHEBI:13681 alt_id: CHEBI:26448 def: "Any compound having a pyrimidine as part of its structure." [] subset: 3_STAR is_a: CHEBI:38313 ! diazines [Term] id: CHEBI:39457 name: pyrimidine ribonucleoside 5'-monophosphate namespace: chebi_ontology alt_id: CHEBI:13682 alt_id: CHEBI:37019 alt_id: CHEBI:8677 subset: 3_STAR synonym: "Pyrimidine 5'-nucleotide" RELATED [KEGG_COMPOUND] synonym: "pyrimidine 5'-nucleotide" RELATED [UniProt] synonym: "pyrimidine ribonucleoside 5'-monophosphates" RELATED [ChEBI] synonym: "pyrimidine ribonucleoside 5'-phosphate" RELATED [ChEBI] xref: KEGG:C03536 is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate is_a: CHEBI:26446 ! pyrimidine ribonucleotide is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate [Term] id: CHEBI:39474 name: polyazaalkane namespace: chebi_ontology def: "Any azaalkane in which two or more carbons in the chain are replaced by nitrogen." [] subset: 3_STAR synonym: "polyazaalkanes" RELATED [ChEBI] is_a: CHEBI:46686 ! azaalkane is_a: CHEBI:88061 ! polyamine [Term] id: CHEBI:39745 name: dihydrogenphosphate namespace: chebi_ontology alt_id: CHEBI:29137 alt_id: CHEBI:39739 def: "A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "96.969" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "96.98724" RELATED MASS [ChEBI] synonym: "[H]OP([O-])(=O)O[H]" RELATED SMILES [ChEBI] synonym: "[PO2(OH)2](-)" RELATED [IUPAC] synonym: "dihydrogen(tetraoxidophosphate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogenphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "DIHYDROGENPHOSPHATE ION" RELATED [PDBeChem] synonym: "dihydrogentetraoxophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogentetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidodioxidophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2O4P" RELATED FORMULA [ChEBI] synonym: "H2PO4(-)" RELATED [IUPAC] synonym: "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1" RELATED InChI [ChEBI] synonym: "NBIIXXVUZAFLBC-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: DrugBank:DB02831 xref: Gmelin:1999 "Gmelin" xref: PDBeChem:2HP is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:43474 ! hydrogenphosphate [Term] id: CHEBI:3992 name: cyclic ketone namespace: chebi_ontology subset: 3_STAR synonym: "Cyclic ketone" EXACT [KEGG_COMPOUND] synonym: "cyclic ketones" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02019 is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:40646 name: autoinducer-2 namespace: chebi_ontology def: "An organic anion that is a borate diester derived from a furanose and acts a universal signal molecule mediating intra- and interspecies communication among bacteria." [] subset: 3_STAR synonym: "(3aS,6S,6aR)-2,2,6,6a-tetrahydroxy-3a-methyltetrahydrofuro[3,2-d][1,3,2]dioxaborolan-2-uide" RELATED [ChEBI] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "192.94000" RELATED MASS [ChEBI] synonym: "193.052" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "ACKRRKSNOOISSG-VPENINKCSA-N" RELATED InChIKey [ChEBI] synonym: "AI-2" RELATED [KEGG_COMPOUND] synonym: "Autoinducer 2" RELATED [KEGG_COMPOUND] synonym: "C5H10BO7" RELATED FORMULA [ChEBI] synonym: "C[C@]12OC[C@H](O)[C@@]1(O)O[B-](O)(O)O2" RELATED SMILES [ChEBI] synonym: "dihydroxy[(2S,3R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrolato(2-)-kappa(2)O(2),O(3)]borate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1" RELATED InChI [ChEBI] xref: colombos:AUTO_INDUCER_2 xref: KEGG:C16421 xref: PDBeChem:AI2 xref: PMID:23078586 "Europe PMC" xref: PMID:23305926 "Europe PMC" xref: PMID:23649272 "Europe PMC" xref: PMID:24026770 "Europe PMC" xref: PMID:24324385 "Europe PMC" xref: PMID:24370626 "Europe PMC" xref: PMID:24491837 "Europe PMC" xref: PMID:24871429 "Europe PMC" xref: PMID:25081571 "Europe PMC" xref: PMID:25101248 "Europe PMC" xref: Reaxys:23834806 "Reaxys" is_a: CHEBI:25696 ! organic anion relationship: has_role CHEBI:71338 ! autoinducer relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:40721 name: AMP(1+) namespace: chebi_ontology def: "An organic cation that is the conjugate acid of AMP obtained by selective protonation at position N1 on the purine moiety." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "348.071" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "348.22920" RELATED MASS [ChEBI] synonym: "C10H15N5O7P" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "N1-PROTONATED ADENOSINE-5'-MONOPHOSPHATE" RELATED [PDBeChem] synonym: "Nc1[nH+]cnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "UDMBCSSLTHHNCD-KQYNXXCUSA-O" RELATED InChIKey [ChEBI] xref: PDBeChem:AP7 is_a: CHEBI:25697 ! organic cation relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:16027 ! AMP [Term] id: CHEBI:41139 name: N,N,N-trimethylglycinium namespace: chebi_ontology alt_id: CHEBI:12531 alt_id: CHEBI:41134 def: "A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and carboxymethyl." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "118.087" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "118.154" RELATED MASS [ChEBI] synonym: "[N+](C)(C)(C)CC(=O)O" RELATED SMILES [ChEBI] synonym: "C5H12NO2" RELATED FORMULA [ChEBI] synonym: "carboxy-N,N,N-trimethylmethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1" RELATED InChI [ChEBI] synonym: "KWIUHFFTVRNATP-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "TRIMETHYL GLYCINE" RELATED [PDBeChem] xref: Beilstein:1758492 "Beilstein" xref: DrugBank:DB04455 xref: ECMDB:ECMDB04024 xref: Gmelin:324712 "Gmelin" xref: PDBeChem:BET xref: Reaxys:1758492 "Reaxys" is_a: CHEBI:35267 ! quaternary ammonium ion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:17750 ! glycine betaine [Term] id: CHEBI:41402 name: carboxymethyl group namespace: chebi_ontology alt_id: CHEBI:23029 alt_id: CHEBI:41396 subset: 3_STAR synonym: "-CH2-COOH" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "59.013" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "59.04402" RELATED MASS [ChEBI] synonym: "aspartic acid side-chain" RELATED [ChEBI] synonym: "C2H3O2" RELATED FORMULA [ChEBI] synonym: "carboxymethyl" EXACT IUPAC_NAME [IUPAC] synonym: "CARBOXYMETHYL GROUP" EXACT [PDBeChem] xref: PDBeChem:CBM is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:15366 ! acetic acid [Term] id: CHEBI:41609 name: carbonate namespace: chebi_ontology alt_id: CHEBI:29201 alt_id: CHEBI:41605 subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "59.985" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.00890" RELATED MASS [ChEBI] synonym: "[CO3](2-)" RELATED [IUPAC] synonym: "[O-]C([O-])=O" RELATED SMILES [ChEBI] synonym: "BVKZGUZCCUSVTD-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "carbonate" EXACT [IUPAC] synonym: "CARBONATE ION" RELATED [PDBeChem] synonym: "CO3" RELATED FORMULA [ChEBI] synonym: "CO3(2-)" RELATED [ChEBI] synonym: "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2" RELATED InChI [ChEBI] synonym: "Karbonat" RELATED [ChEBI] synonym: "trioxidocarbonate(2-)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3600898 "Beilstein" xref: CAS:3812-32-6 "ChemIDplus" xref: Gmelin:1559 "Gmelin" xref: PDBeChem:CO3 is_a: CHEBI:35604 ! carbon oxoanion relationship: is_conjugate_base_of CHEBI:17544 ! hydrogencarbonate [Term] id: CHEBI:41808 name: decane namespace: chebi_ontology alt_id: CHEBI:32894 alt_id: CHEBI:41801 def: "A straight-chain alkane with 10 carbon atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "142.172" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "142.28168" RELATED MASS [ChEBI] synonym: "C10H22" RELATED FORMULA [ChEBI] synonym: "CCCCCCCCCC" RELATED SMILES [ChEBI] synonym: "CH3-[CH2]8-CH3" RELATED [IUPAC] synonym: "DECANE" EXACT [PDBeChem] synonym: "decane" EXACT IUPAC_NAME [IUPAC] synonym: "Dekan" RELATED [ChEBI] synonym: "DIOQZVSQGTUSAI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" RELATED InChI [ChEBI] synonym: "n-decane" RELATED [NIST_Chemistry_WebBook] synonym: "n-Dekan" RELATED [ChEBI] xref: Beilstein:1696981 "ChemIDplus" xref: CAS:124-18-5 "ChemIDplus" xref: DrugBank:DB02826 xref: Gmelin:67816 "Gmelin" xref: HMDB:HMDB31450 xref: LIPID_MAPS_instance:LMFA11000568 "LIPID MAPS" xref: MetaCyc:CPD-9287 xref: PDBeChem:D10 xref: PMID:11762597 "Europe PMC" xref: Reaxys:1696981 "Reaxys" xref: Wikipedia:Decane is_a: CHEBI:18310 ! alkane [Term] id: CHEBI:4194 name: D-hexose namespace: chebi_ontology def: "A hexose that has D-configuration at position 5." [] subset: 3_STAR synonym: "C6H12O6" RELATED FORMULA [ChEBI] synonym: "D-hexopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "D-Hexose" EXACT [KEGG_COMPOUND] synonym: "D-hexose" EXACT [UniProt] synonym: "D-hexoses" RELATED [ChEBI] xref: KEGG:C00738 is_a: CHEBI:18133 ! hexose [Term] id: CHEBI:4195 name: D-hexose 6-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "D-Hexose 6-phosphate" EXACT [KEGG_COMPOUND] xref: KEGG:C02965 is_a: CHEBI:15965 ! D-hexose phosphate is_a: CHEBI:47877 ! hexose 6-phosphate relationship: has_functional_parent CHEBI:4194 ! D-hexose [Term] id: CHEBI:42017 name: 2,4-dinitrophenol namespace: chebi_ontology alt_id: CHEBI:42013 alt_id: CHEBI:918 def: "A dinitrophenol having the nitro groups at the 2- and 4-positions." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-hydroxy-2,4-dinitrobenzene" RELATED [ChemIDplus] synonym: "184.012" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "184.10640" RELATED MASS [ChEBI] synonym: "2,4-DINITROPHENOL" EXACT [PDBeChem] synonym: "2,4-Dinitrophenol" EXACT [KEGG_COMPOUND] synonym: "2,4-dinitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "2,4-DNP" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-dinitrophenol" RELATED [NIST_Chemistry_WebBook] synonym: "C6H4N2O5" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H" RELATED InChI [ChEBI] synonym: "Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O" RELATED SMILES [ChEBI] synonym: "UFBJCMHMOXMLKC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1246142 "Beilstein" xref: CAS:51-28-5 "KEGG COMPOUND" xref: DrugBank:DB04528 xref: Gmelin:103005 "Gmelin" xref: KEGG:C02496 xref: LINCS:LSM-20951 xref: MetaCyc:CPD-8179 xref: PDBeChem:DNF xref: PMID:10509480 "Europe PMC" xref: PMID:10888472 "Europe PMC" xref: PMID:13532746 "Europe PMC" xref: PMID:15307184 "Europe PMC" xref: PMID:16661637 "Europe PMC" xref: PMID:25281383 "Europe PMC" xref: PMID:5959282 "Europe PMC" xref: PMID:9129253 "Europe PMC" xref: Reaxys:1246142 "Reaxys" xref: Wikipedia:2\,4-Dinitrophenol is_a: CHEBI:39352 ! dinitrophenol relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:73267 ! oxidative phosphorylation inhibitor relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:84561 ! 2,4-dinitrophenol(1-) [Term] id: CHEBI:42111 name: (R)-lactic acid namespace: chebi_ontology alt_id: CHEBI:341 alt_id: CHEBI:42105 alt_id: CHEBI:43701 def: "An optically active form of lactic acid having (R)-configuration." [] subset: 3_STAR synonym: "(-)-lactic acid" RELATED [ChemIDplus] synonym: "(2R)-2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(-)-lactic acid" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "90.032" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "90.07794" RELATED MASS [ChEBI] synonym: "C3H6O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "D-2-Hydroxypropanoic acid" RELATED [KEGG_COMPOUND] synonym: "D-2-Hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Lactic acid" RELATED [KEGG_COMPOUND] synonym: "D-lactic acid" RELATED [ChemIDplus] synonym: "D-Milchsaeure" RELATED [ChEBI] synonym: "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "JVTAAEKCZFNVCJ-UWTATZPHSA-N" RELATED InChIKey [ChEBI] synonym: "LACTIC ACID" RELATED [PDBeChem] xref: Beilstein:1720252 "Beilstein" xref: CAS:10326-41-7 "ChemIDplus" xref: DrugBank:DB03066 xref: DrugBank:DB04398 xref: Gmelin:362718 "Gmelin" xref: HMDB:HMDB01311 xref: KEGG:C00256 xref: KNApSAcK:C00019549 xref: PDBeChem:LAC xref: PMID:21842515 "Europe PMC" xref: PMID:22127808 "Europe PMC" xref: PMID:22277286 "Europe PMC" xref: PMID:22344644 "Europe PMC" xref: Reaxys:1720252 "Reaxys" xref: Wikipedia:Lactic_acid is_a: CHEBI:78320 ! 2-hydroxypropanoic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16004 ! (R)-lactate relationship: is_enantiomer_of CHEBI:422 ! (S)-lactic acid [Term] id: CHEBI:422 name: (S)-lactic acid namespace: chebi_ontology def: "An optically active form of lactic acid having (S)-configuration." [] subset: 3_STAR synonym: "(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(2S)-2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-2-hydroxypropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-2-hydroxypropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "90.032" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "90.07794" RELATED MASS [ChEBI] synonym: "C3H6O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "JVTAAEKCZFNVCJ-REOHCLBHSA-N" RELATED InChIKey [ChEBI] synonym: "L-(+)-alpha-hydroxypropionic acid" RELATED [ChemIDplus] synonym: "L-(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Lactic acid" RELATED [KEGG_COMPOUND] synonym: "L-Milchsaeure" RELATED [ChEBI] xref: Beilstein:1720251 "Beilstein" xref: CAS:79-33-4 "KEGG COMPOUND" xref: Gmelin:362717 "Gmelin" xref: HMDB:HMDB00190 xref: KEGG:C00186 xref: KNApSAcK:C00001191 xref: PMID:21996028 "Europe PMC" xref: PMID:22336740 "Europe PMC" xref: PMID:22367529 "Europe PMC" xref: PMID:22424924 "Europe PMC" xref: PMID:22443585 "Europe PMC" xref: PMID:22461545 "Europe PMC" xref: PMID:22534372 "Europe PMC" xref: PMID:22538963 "Europe PMC" xref: PMID:22578598 "Europe PMC" xref: Reaxys:1720251 "Reaxys" xref: Wikipedia:Lactic_Acid is_a: CHEBI:78320 ! 2-hydroxypropanoic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16651 ! (S)-lactate relationship: is_enantiomer_of CHEBI:42111 ! (R)-lactic acid [Term] id: CHEBI:42266 name: ethane namespace: chebi_ontology alt_id: CHEBI:23975 alt_id: CHEBI:42260 def: "An alkane comprising of two carbon atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "30.047" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "30.06904" RELATED MASS [ChEBI] synonym: "Aethan" RELATED [ChEBI] synonym: "bimethyl" RELATED [NIST_Chemistry_WebBook] synonym: "C2H6" RELATED FORMULA [ChEBI] synonym: "C2H6" RELATED [ChEBI] synonym: "CC" RELATED SMILES [ChEBI] synonym: "CH3-CH3" RELATED [IUPAC] synonym: "dimethyl" RELATED [NIST_Chemistry_WebBook] synonym: "Ethan" RELATED [ChEBI] synonym: "ETHANE" EXACT [PDBeChem] synonym: "ethane" EXACT IUPAC_NAME [IUPAC] synonym: "ethyl hydride" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C2H6/c1-2/h1-2H3" RELATED InChI [ChEBI] synonym: "methylmethane" RELATED [NIST_Chemistry_WebBook] synonym: "OTMSDBZUPAUEDD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "R-170" RELATED [ChEBI] xref: Beilstein:1730716 "Beilstein" xref: CAS:74-84-0 "NIST Chemistry WebBook" xref: Gmelin:212 "Gmelin" xref: PDBeChem:EHN xref: PMID:12826252 "Europe PMC" xref: PMID:14664856 "Europe PMC" xref: PMID:16236899 "Europe PMC" xref: Reaxys:1730716 "Reaxys" xref: Wikipedia:Ethane is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78433 ! refrigerant [Term] id: CHEBI:42478 name: ethidium namespace: chebi_ontology def: "The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "3,8-diamino-5-ethyl-6-phenylphenanthridinium" EXACT IUPAC_NAME [IUPAC] synonym: "314.166" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "314.40372" RELATED MASS [ChEBI] synonym: "C21H20N3" RELATED FORMULA [ChEBI] synonym: "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12" RELATED SMILES [ChEBI] synonym: "ETHIDIUM" EXACT [PDBeChem] synonym: "ethidium cation" RELATED [ChemIDplus] synonym: "homidium" RELATED [ChemIDplus] synonym: "InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1" RELATED InChI [ChEBI] synonym: "QTANTQQOYSUMLC-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Beilstein:3627183 "ChemIDplus" xref: CAS:3546-21-2 "ChemIDplus" xref: Gmelin:981639 "Gmelin" xref: PDBeChem:ET is_a: CHEBI:51245 ! phenanthridines relationship: has_parent_hydride CHEBI:36421 ! phenanthridine relationship: has_role CHEBI:24853 ! intercalator relationship: has_role CHEBI:51217 ! fluorochrome [Term] id: CHEBI:42485 name: formyl group namespace: chebi_ontology alt_id: CHEBI:24089 alt_id: CHEBI:42480 subset: 3_STAR synonym: "-CH(O)" RELATED [IUPAC] synonym: "-CHO" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "29.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "29.01804" RELATED MASS [ChEBI] synonym: "aldehyde group" EXACT IUPAC_NAME [IUPAC] synonym: "carbaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "CHO" RELATED FORMULA [ChEBI] synonym: "Fo" RELATED [CBN] synonym: "formyl" EXACT IUPAC_NAME [IUPAC] synonym: "FORMYL GROUP" EXACT [PDBeChem] synonym: "H-CO-" RELATED [IUPAC] synonym: "methanoyl" RELATED [IUPAC] xref: PDBeChem:FOR is_a: CHEBI:27207 ! univalent carboacyl group relationship: is_substituent_group_from CHEBI:30751 ! formic acid [Term] id: CHEBI:42820 name: guanidine namespace: chebi_ontology alt_id: CHEBI:24435 alt_id: CHEBI:42816 def: "An aminocarboxamidine, the parent compound of the guanidines." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "59.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "59.07062" RELATED MASS [ChEBI] synonym: "aminomethanamidine" RELATED [NIST_Chemistry_WebBook] synonym: "CH5N3" RELATED FORMULA [ChEBI] synonym: "Gu" RELATED [ChEBI] synonym: "guanidin" RELATED [ChEBI] synonym: "GUANIDINE" EXACT [PDBeChem] synonym: "guanidine" EXACT IUPAC_NAME [IUPAC] synonym: "H2N-C(=NH)-NH2" RELATED [IUPAC] synonym: "iminourea" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)" RELATED InChI [ChEBI] synonym: "NC(N)=N" RELATED SMILES [ChEBI] synonym: "ZRALSGWEFCBTJO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:506044 "Beilstein" xref: CAS:113-00-8 "NIST Chemistry WebBook" xref: Drug_Central:1344 "DrugCentral" xref: DrugBank:DB00536 xref: Gmelin:100679 "Gmelin" xref: PDBeChem:GAI xref: PMID:8070089 "Europe PMC" xref: Reaxys:506044 "Reaxys" xref: Wikipedia:Guanidine is_a: CHEBI:24436 ! guanidines is_a: CHEBI:35359 ! carboxamidine is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_base_of CHEBI:30087 ! guanidinium [Term] id: CHEBI:43176 name: hydroxy group namespace: chebi_ontology alt_id: CHEBI:24706 alt_id: CHEBI:43171 subset: 3_STAR synonym: "-OH" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "17.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "17.00734" RELATED MASS [ChEBI] synonym: "HO" RELATED FORMULA [ChEBI] synonym: "hydroxy" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROXY GROUP" EXACT [PDBeChem] synonym: "hydroxy group" EXACT [UniProt] synonym: "hydroxyl" RELATED [ChEBI] synonym: "hydroxyl group" RELATED [ChEBI] synonym: "oxidanyl" EXACT IUPAC_NAME [IUPAC] xref: PDBeChem:HYD is_a: CHEBI:33246 ! inorganic group [Term] id: CHEBI:43254 name: (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one namespace: chebi_ontology subset: 1_STAR synonym: "(4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one" EXACT [PDBeChem] synonym: "0" RELATED CHARGE [ChEBI] synonym: "114.043" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "114.10272" RELATED MASS [ChEBI] synonym: "4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE" RELATED [PDBeChem] synonym: "[H]O[C@]1([H])N([H])C(=O)N([H])C([H])=C1[H]" RELATED SMILES [ChEBI] synonym: "C4H6N2O2" RELATED FORMULA [ChEBI] synonym: "DEAAWXYGBWCVJW-VKHMYHEASA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1" RELATED InChI [ChEBI] xref: PDBeChem:HPY is_a: CHEBI:38337 ! pyrimidone relationship: is_tautomer_of CHEBI:17568 ! uracil [Term] id: CHEBI:43474 name: hydrogenphosphate namespace: chebi_ontology alt_id: CHEBI:29139 alt_id: CHEBI:43470 def: "A phosphate ion that is the conjugate base of dihydrogenphosphate." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "95.961" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "95.97930" RELATED MASS [ChEBI] synonym: "[P(OH)O3](2-)" RELATED [MolBase] synonym: "[PO3(OH)](2-)" RELATED [IUPAC] synonym: "HO4P" RELATED FORMULA [ChEBI] synonym: "HPO4(2-)" RELATED [IUPAC] synonym: "hydrogen phosphate" RELATED [ChEBI] synonym: "hydrogen(tetraoxidophosphate)(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROGENPHOSPHATE ION" RELATED [PDBeChem] synonym: "hydrogentetraoxophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidotrioxidophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2" RELATED InChI [ChEBI] synonym: "INORGANIC PHOSPHATE GROUP" RELATED [PDBeChem] synonym: "NBIIXXVUZAFLBC-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "OP([O-])([O-])=O" RELATED SMILES [ChEBI] synonym: "phosphate" RELATED [UniProt] xref: Gmelin:1998 "Gmelin" xref: MolBase:1628 xref: PDBeChem:IPS xref: PDBeChem:PI is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79388 ! divalent inorganic anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_acid_of CHEBI:18367 ! phosphate(3-) relationship: is_conjugate_base_of CHEBI:39745 ! dihydrogenphosphate [Term] id: CHEBI:4356 name: desferrioxamine B namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "560.353" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "560.68400" RELATED MASS [ChEBI] synonym: "C25H48N6O8" RELATED FORMULA [ChEBI] synonym: "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN" RELATED SMILES [ChEBI] synonym: "Deferoxamin" RELATED [DrugBank] synonym: "deferoxamina" RELATED INN [ChemIDplus] synonym: "deferoxamine" RELATED INN [ChEBI] synonym: "deferoxamine" RELATED INN [ChemIDplus] synonym: "deferoxaminum" RELATED INN [ChEBI] synonym: "Deferrioxamine" RELATED [DrugBank] synonym: "deferrioxamine B" RELATED [ChemIDplus] synonym: "Desferrioxamine" RELATED [DrugBank] synonym: "DFO" RELATED [DrugBank] synonym: "InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)" RELATED InChI [ChEBI] synonym: "N'-{5-[acetyl(hydroxy)amino]pentyl}-N-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N-hydroxybutanediamide" EXACT IUPAC_NAME [IUPAC] synonym: "UBQYURCVBFRUQT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2514118 "Beilstein" xref: CAS:70-51-9 "ChemIDplus" xref: Drug_Central:792 "DrugCentral" xref: DrugBank:DB00746 xref: KEGG:C06940 xref: KEGG:D03670 xref: LINCS:LSM-6541 xref: Patent:BE609053 xref: Wikipedia:Deferoxamine is_a: CHEBI:50454 ! acyclic desferrioxamine relationship: has_role CHEBI:26672 ! siderophore relationship: is_conjugate_acid_of CHEBI:84700 ! desferrioxamine B(3-) [Term] id: CHEBI:43799 name: butan-1-amine namespace: chebi_ontology def: "A primary aliphatic amine that is butane substituted by an amino group at position 1." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-Aminobutan" RELATED [ChemIDplus] synonym: "1-aminobutane" RELATED [ChemIDplus] synonym: "1-butanamine" RELATED [NIST_Chemistry_WebBook] synonym: "1-butylamine" RELATED [NIST_Chemistry_WebBook] synonym: "73.089" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "73.13680" RELATED MASS [ChEBI] synonym: "butan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "butanamine" RELATED [NIST_Chemistry_WebBook] synonym: "BUTYLAMINE" RELATED [PDBeChem] synonym: "butylamine" RELATED [ChemIDplus] synonym: "C4H11N" RELATED FORMULA [ChEBI] synonym: "CCCCN" RELATED SMILES [ChEBI] synonym: "HQABUPZFAYXKJW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" RELATED InChI [ChEBI] synonym: "mono-n-butylamine" RELATED [ChemIDplus] synonym: "monobutylamine" RELATED [NIST_Chemistry_WebBook] synonym: "n-Butylamin" RELATED [ChemIDplus] synonym: "n-butylamine" RELATED [ChemIDplus] synonym: "n-C4H9NH2" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:605269 "Beilstein" xref: CAS:109-73-9 "NIST Chemistry WebBook" xref: DrugBank:DB03659 xref: Gmelin:1784 "Gmelin" xref: MetaCyc:BUTYLAMINE xref: PDBeChem:LYT xref: PMID:16387436 "Europe PMC" xref: PMID:23470444 "Europe PMC" xref: PMID:23734590 "Europe PMC" xref: Reaxys:605269 "Reaxys" xref: Wikipedia:N-Butylamine is_a: CHEBI:17062 ! primary aliphatic amine [Term] id: CHEBI:4431 name: deoxyribonucleotide namespace: chebi_ontology def: "A nucleotide in which the ribose moiety has one or more of its hydroxy groups substituted by hydrogen." [] subset: 3_STAR synonym: "deoxyribonucleotides" RELATED [ChEBI] is_a: CHEBI:23634 ! deoxyaldopentose phosphate is_a: CHEBI:36976 ! nucleotide [Term] id: CHEBI:44423 name: hydroxyurea namespace: chebi_ontology alt_id: CHEBI:44420 alt_id: CHEBI:5816 def: "A member of the class of ureas that is urea in which one of the hydrogens is replaced by a hydroxy group. An antineoplastic used in the treatment of chronic myeloid leukaemia as well as for sickle-cell disease." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "76.027" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "76.05474" RELATED MASS [ChEBI] synonym: "carbamohydroxamic acid" RELATED [ChemIDplus] synonym: "carbamohydroximic acid" RELATED [ChemIDplus] synonym: "carbamoyl oxime" RELATED [ChemIDplus] synonym: "carbamyl hydroxamate" RELATED [ChemIDplus] synonym: "CH4N2O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "hidroxicarbamida" RELATED INN [ChemIDplus] synonym: "hydrea" RELATED [ChemIDplus] synonym: "Hydroxycarbamid" RELATED [ChEBI] synonym: "Hydroxycarbamide" RELATED [KEGG_COMPOUND] synonym: "hydroxycarbamide" RELATED INN [WHO_MedNet] synonym: "hydroxycarbamide" RELATED INN [ChemIDplus] synonym: "hydroxycarbamidum" RELATED INN [ChemIDplus] synonym: "Hydroxyharnstoff" RELATED [ChEBI] synonym: "Hydroxyurea" EXACT [KEGG_COMPOUND] synonym: "hydroxyurea" EXACT [UniProt] synonym: "InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)" RELATED InChI [ChEBI] synonym: "N-carbamoylhydroxylamine" RELATED [ChemIDplus] synonym: "N-HYDROXYUREA" RELATED [PDBeChem] synonym: "N-hydroxyurea" EXACT IUPAC_NAME [IUPAC] synonym: "NC(=O)NO" RELATED SMILES [ChEBI] synonym: "oxyurea" RELATED [ChemIDplus] synonym: "VSNHCAURESNICA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1741548 "ChemIDplus" xref: CAS:127-07-1 "KEGG COMPOUND" xref: Drug_Central:1399 "DrugCentral" xref: DrugBank:DB01005 xref: Gmelin:130423 "Gmelin" xref: HMDB:HMDB15140 xref: KEGG:C07044 xref: KEGG:D00341 xref: MetaCyc:HYDROXY-UREA xref: Patent:US2705727 xref: PDBeChem:NHY xref: PMID:11285159 "Europe PMC" xref: PMID:11298103 "Europe PMC" xref: PMID:11364534 "Europe PMC" xref: PMID:11365149 "Europe PMC" xref: PMID:11391710 "Europe PMC" xref: PMID:12107454 "Europe PMC" xref: PMID:14988684 "Europe PMC" xref: PMID:15772364 "Europe PMC" xref: PMID:15994344 "Europe PMC" xref: PMID:16356682 "Europe PMC" xref: PMID:22983419 "Europe PMC" xref: PMID:23318979 "Europe PMC" xref: PMID:23643402 "Europe PMC" xref: PMID:23696560 "Europe PMC" xref: PMID:9271088 "Europe PMC" xref: Reaxys:1741548 "Reaxys" xref: Wikipedia:Hydroxyurea is_a: CHEBI:47857 ! ureas is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:35221 ! antimetabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:50846 ! immunomodulator relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: has_role CHEBI:64911 ! antimitotic relationship: has_role CHEBI:74213 ! EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor [Term] id: CHEBI:44485 name: N-ethylmaleimide namespace: chebi_ontology alt_id: CHEBI:44483 alt_id: CHEBI:7269 def: "A member of the class of maleimides that is the N-ethyl derivative of maleimide." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-ethyl-1H-pyrrole-2,5-dione" EXACT IUPAC_NAME [IUPAC] synonym: "125.048" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "125.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "125.12530" RELATED MASS [ChEBI] synonym: "C6H7NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "C6H7NO2" RELATED FORMULA [ChEBI] synonym: "CCN1C(=O)C=CC1=O" RELATED SMILES [ChEBI] synonym: "Ethylmaleimide" RELATED [ChemIDplus] synonym: "HDFGOPSGAURCEO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3" RELATED InChI [ChEBI] synonym: "N-ETHYLMALEIMIDE" EXACT [PDBeChem] synonym: "N-Ethylmaleimide" EXACT [KEGG_COMPOUND] synonym: "N-ethylmaleimide" EXACT [UniProt] synonym: "NEM" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:112448 "Beilstein" xref: CAS:128-53-0 "NIST Chemistry WebBook" xref: DrugBank:DB02967 xref: Gmelin:405614 "Gmelin" xref: KEGG:C02441 xref: LINCS:LSM-4219 xref: MetaCyc:N-ETHYLMALEIMIDE xref: PDBeChem:NEQ xref: PMID:12232209 "Europe PMC" xref: PMID:18499511 "Europe PMC" xref: PMID:24211707 "Europe PMC" xref: PMID:6501266 "Europe PMC" xref: Reaxys:112448 "Reaxys" xref: Wikipedia:N-Ethylmaleimide is_a: CHEBI:55417 ! maleimides relationship: has_functional_parent CHEBI:16072 ! maleimide relationship: has_role CHEBI:77115 ! EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor relationship: has_role CHEBI:78366 ! EC 2.7.1.1 (hexokinase) inhibitor relationship: has_role CHEBI:78377 ! EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor [Term] id: CHEBI:44976 name: phosphonic acid namespace: chebi_ontology alt_id: CHEBI:26067 def: "A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids." [] subset: 3_STAR synonym: "(HO)2HPO" RELATED [NIST_Chemistry_WebBook] synonym: "0" RELATED CHARGE [ChEBI] synonym: "81.982" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "81.982" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "81.99580" RELATED MASS [ChEBI] synonym: "[PHO(OH)2]" RELATED [IUPAC] synonym: "ABLZXFCXXLZCGV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "dihydrogen hydridotrioxophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2PHO3" RELATED [IUPAC] synonym: "H3O3P" RELATED FORMULA [KEGG_COMPOUND] synonym: "H3O3P" RELATED FORMULA [ChEBI] synonym: "H3PO3" RELATED [ChEBI] synonym: "HPO(OH)2" RELATED [IUPAC] synonym: "hydridodihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "hydridotrioxophosphoric(2-) acid" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)" RELATED InChI [ChEBI] synonym: "OP(O)=O" RELATED SMILES [ChEBI] synonym: "Phosphite" RELATED [KEGG_COMPOUND] synonym: "Phosphonate" RELATED [KEGG_COMPOUND] synonym: "Phosphonic acid" EXACT [KEGG_COMPOUND] synonym: "phosphonic acid" EXACT [ChEBI] synonym: "Phosphonsaeure" RELATED [ChEBI] xref: CAS:13598-36-2 "KEGG COMPOUND" xref: Gmelin:1619 "Gmelin" xref: KEGG:C06701 xref: PDBeChem:PHS xref: Reaxys:1209272 "Reaxys" xref: Wikipedia:Phosphonic_acid is_a: CHEBI:26069 ! phosphonic acids is_a: CHEBI:33457 ! phosphorus oxoacid relationship: has_role CHEBI:24127 ! fungicide relationship: is_conjugate_acid_of CHEBI:33462 ! phosphonate(1-) relationship: is_tautomer_of CHEBI:36361 ! phosphorous acid [Term] id: CHEBI:45064 name: phosphite(3-) namespace: chebi_ontology alt_id: CHEBI:29197 alt_id: CHEBI:45060 def: "A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "78.959" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "78.97196" RELATED MASS [ChEBI] synonym: "[O-]P([O-])[O-]" RELATED SMILES [ChEBI] synonym: "[PO3](3-)" RELATED [IUPAC] synonym: "AQSJGOWTSHOLKH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/O3P/c1-4(2)3/q-3" RELATED InChI [ChEBI] synonym: "O3P" RELATED FORMULA [ChEBI] synonym: "Phosphit" RELATED [ChEBI] synonym: "phosphite" RELATED [IUPAC] synonym: "PHOSPHITE ION" RELATED [PDBeChem] synonym: "PO3(3-)" RELATED [IUPAC] synonym: "trioxidophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxophosphate(III)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:68617 "Gmelin" xref: PDBeChem:PO3 is_a: CHEBI:26045 ! phosphite ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:29259 ! hydrogenphosphite [Term] id: CHEBI:45373 name: sulfanilamide namespace: chebi_ontology alt_id: CHEBI:45370 alt_id: CHEBI:9333 def: "A sulfonamide in which the sulfamoyl functional group is attached to aniline at the 4-position." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "172.031" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "172.20600" RELATED MASS [ChEBI] synonym: "4-aminobenzene sulfonic acid amide" RELATED [ChEBI] synonym: "4-aminobenzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "4-azanylbenzenesulfonamide" RELATED [IUPAC] synonym: "C6H8N2O2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "FDDDEECHVMSUSB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)" RELATED InChI [ChEBI] synonym: "Nc1ccc(cc1)S(N)(=O)=O" RELATED SMILES [ChEBI] synonym: "p-aminobenzenesulfamide" RELATED [NIST_Chemistry_WebBook] synonym: "p-aminobenzenesulfonamide" RELATED [NIST_Chemistry_WebBook] synonym: "para-aminobenzenesulfonamide" RELATED [ChEBI] synonym: "Prontosil album" RELATED [KEGG_COMPOUND] synonym: "SA" RELATED [ChEBI] synonym: "Streptocide" RELATED [NIST_Chemistry_WebBook] synonym: "Sulfamine" RELATED [KEGG_COMPOUND] synonym: "sulfamine" RELATED [NIST_Chemistry_WebBook] synonym: "SULFANILAMIDE" EXACT [PDBeChem] synonym: "Sulfanilamide" EXACT [KEGG_COMPOUND] synonym: "sulphanilamide" RELATED [ChEBI] xref: Beilstein:511852 "Beilstein" xref: CAS:63-74-1 "NIST Chemistry WebBook" xref: Drug_Central:2521 "DrugCentral" xref: DrugBank:DB00259 xref: Gmelin:83068 "Gmelin" xref: HMDB:HMDB14404 xref: KEGG:C07458 xref: KEGG:D08543 xref: LINCS:LSM-6524 xref: PDBeChem:SAN xref: PMID:22214209 "Europe PMC" xref: PMID:22342371 "Europe PMC" xref: PMID:22974493 "Europe PMC" xref: PMID:23061287 "Europe PMC" xref: PMID:23065453 "Europe PMC" xref: PMID:23122138 "Europe PMC" xref: PMID:23294218 "Europe PMC" xref: PMID:23476893 "Europe PMC" xref: PMID:23561569 "Europe PMC" xref: PMID:2420897 "Europe PMC" xref: PMID:9639594 "Europe PMC" xref: Reaxys:511852 "Reaxys" xref: Wikipedia:Sulfanilamide is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_role CHEBI:23018 ! EC 4.2.1.1 (carbonic anhydrase) inhibitor relationship: has_role CHEBI:33282 ! antibacterial agent [Term] id: CHEBI:45441 name: N-acetyl-L-serine namespace: chebi_ontology alt_id: CHEBI:21561 alt_id: CHEBI:45438 alt_id: CHEBI:88006 def: "An N-acetyl-L-amino acid in which the amino acid specified is L-serine. Metabolite observed in cancer metabolism." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "147.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.129" RELATED MASS [ChEBI] synonym: "C([C@H](CO)NC(C)=O)(=O)O" RELATED SMILES [ChEBI] synonym: "C5H9NO4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "JJIHLJJYMXLCOY-BYPYZUCNSA-N" RELATED InChIKey [ChEBI] synonym: "N-acetylserine" EXACT IUPAC_NAME [IUPAC] xref: CAS:16354-58-8 "ChemIDplus" xref: Chemspider:312807 xref: HMDB:HMDB02931 xref: PDBeChem:SAC xref: PMID:25518943 "Europe PMC" xref: Reaxys:1724424 "Reaxys" is_a: CHEBI:21545 ! N-acetyl-L-amino acid is_a: CHEBI:22194 ! acetyl-L-serine relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:45506 name: alpha-D-ribose namespace: chebi_ontology alt_id: CHEBI:22410 alt_id: CHEBI:45501 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "alpha-D-Rib" RELATED [JCBN] synonym: "alpha-D-ribofuranose" EXACT IUPAC_NAME [IUPAC] synonym: "C5H10O5" RELATED FORMULA [ChEBI] synonym: "HMFHBZSHGGEWLO-AIHAYLRMSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "RIBOSE" RELATED [PDBeChem] xref: Beilstein:1722195 "Beilstein" xref: Beilstein:3587846 "Beilstein" xref: Beilstein:6052585 "Beilstein" xref: Gmelin:2027190 "Gmelin" xref: PDBeChem:RIB is_a: CHEBI:47013 ! D-ribofuranose relationship: is_enantiomer_of CHEBI:47004 ! alpha-L-ribose [Term] id: CHEBI:45557 name: sec-butyl group namespace: chebi_ontology alt_id: CHEBI:30352 alt_id: CHEBI:45554 subset: 3_STAR synonym: "-CH(CH3)-CH2-CH3" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-methylpropyl" EXACT IUPAC_NAME [IUPAC] synonym: "57.070" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "57.11426" RELATED MASS [ChEBI] synonym: "but-2-yl" RELATED [ChEBI] synonym: "butan-2-ido" EXACT IUPAC_NAME [IUPAC] synonym: "butan-2-yl" EXACT IUPAC_NAME [IUPAC] synonym: "C4H9" RELATED FORMULA [ChEBI] synonym: "CH3-CH2-CH(CH3)-" RELATED [IUPAC] synonym: "isoleucine side-chain" RELATED [ChEBI] synonym: "s-butyl" RELATED [ChEBI] synonym: "sec-butyl" EXACT IUPAC_NAME [IUPAC] synonym: "SEC-BUTYL GROUP" EXACT [PDBeChem] xref: PDBeChem:SBU is_a: CHEBI:22323 ! alkyl group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:37808 ! butane [Term] id: CHEBI:456215 name: AMP(2-) namespace: chebi_ontology def: "A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of AMP." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "345.047" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "345.20530" RELATED MASS [ChEBI] synonym: "5'-O-phosphonatoadenosine" EXACT IUPAC_NAME [IUPAC] synonym: "Adenosine-5-monophosphate dianion" RELATED [ChEBI] synonym: "Adenosine-5-monophosphate(2-)" RELATED [ChEBI] synonym: "AMP" RELATED [UniProt] synonym: "AMP dianion" RELATED [ChEBI] synonym: "C10H12N5O7P" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "UDMBCSSLTHHNCD-KQYNXXCUSA-L" RELATED InChIKey [ChEBI] xref: HMDB:HMDB00045 xref: MetaCyc:AMP xref: Reaxys:3598274 "Reaxys" is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:16027 ! AMP [Term] id: CHEBI:456216 name: ADP(3-) namespace: chebi_ontology def: "A nucleoside 5'-diphosphate(3-) arising from deprotonation of all three diphosphate OH groups of adenosine 5'-diphosphate (ADP); major species present at pH 7.3." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "424.006" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "424.17730" RELATED MASS [ChEBI] synonym: "5'-O-[(phosphonatooxy)phosphinato]adenosine" RELATED [ChEBI] synonym: "adenosine 5'-diphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "ADP" RELATED [UniProt] synonym: "ADP trianion" RELATED [ChEBI] synonym: "C10H12N5O10P2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "XTWYTFMLZFPYCI-KQYNXXCUSA-K" RELATED InChIKey [ChEBI] xref: Beilstein:3783669 "Beilstein" xref: Gmelin:341336 "Gmelin" is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:16761 ! ADP relationship: is_conjugate_base_of CHEBI:87518 ! ADP(2-) [Term] id: CHEBI:45696 name: hydrogensulfate namespace: chebi_ontology alt_id: CHEBI:29199 alt_id: CHEBI:45693 subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "96.960" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "97.07154" RELATED MASS [ChEBI] synonym: "[H]OS([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "[SO3(OH)](-)" RELATED [IUPAC] synonym: "HO4S" RELATED FORMULA [ChEBI] synonym: "HSO4(-)" RELATED [IUPAC] synonym: "HYDROGEN SULFATE" RELATED [PDBeChem] synonym: "hydrogen(tetraoxidosulfate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogensulfate" EXACT [IUPAC] synonym: "hydrogensulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidotrioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1" RELATED InChI [ChEBI] synonym: "QAOWNCQODCNURD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Gmelin:2121 "Gmelin" xref: PDBeChem:SOH is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_acid_of CHEBI:16189 ! sulfate relationship: is_conjugate_base_of CHEBI:26836 ! sulfuric acid [Term] id: CHEBI:46398 name: UTP(4-) namespace: chebi_ontology alt_id: CHEBI:37567 alt_id: CHEBI:46397 def: "A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of UTP; major species present at pH 7.3." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "479.937" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "480.10940" RELATED MASS [ChEBI] synonym: "C9H11N2O15P3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" RELATED SMILES [ChEBI] synonym: "PGAVKCOVUIYSFO-XVFCMESISA-J" RELATED InChIKey [ChEBI] synonym: "URIDINE 5'-TRIPHOSPHATE" RELATED [PDBeChem] synonym: "uridine 5'-triphosphate(4-)" EXACT IUPAC_NAME [IUPAC] synonym: "UTP" RELATED [UniProt] synonym: "utp" RELATED [ChEBI] xref: Beilstein:5204708 "Beilstein" xref: Gmelin:336589 "Gmelin" xref: PDBeChem:UTP is_a: CHEBI:61557 ! nucleoside triphosphate(4-) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15713 ! UTP [Term] id: CHEBI:46502 name: tungstate namespace: chebi_ontology alt_id: CHEBI:30518 alt_id: CHEBI:46497 def: "A divalent inorganic anion obtained by removal of both protons from tungstic acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "247.83760" RELATED MASS [ChEBI] synonym: "247.931" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[O-][W]([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "[WO4](2-)" RELATED [MolBase] synonym: "InChI=1S/4O.W/q;;2*-1;" RELATED InChI [ChEBI] synonym: "O4W" RELATED FORMULA [ChEBI] synonym: "PBYZMCDFOULPGH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "tetraoxidotungstate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxidotungstate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "tungstate" EXACT [UniProt] synonym: "TUNGSTATE(VI)ION" RELATED [PDBeChem] synonym: "Wolframat" RELATED [ChEBI] synonym: "wolframate" RELATED [ChEBI] xref: CAS:14311-52-5 "ChemIDplus" xref: Gmelin:2540 "Gmelin" xref: MolBase:529 xref: PDBeChem:WO4 is_a: CHEBI:36270 ! tungsten oxoanion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:36271 ! hydrogentungstate [Term] id: CHEBI:46629 name: oxo group namespace: chebi_ontology alt_id: CHEBI:29353 alt_id: CHEBI:44607 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "15.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "15.99940" RELATED MASS [ChEBI] synonym: "=O" RELATED [IUPAC] synonym: "O" RELATED FORMULA [ChEBI] synonym: "oxo" EXACT IUPAC_NAME [IUPAC] synonym: "OXO GROUP" EXACT [PDBeChem] xref: PDBeChem:OXO is_a: CHEBI:33246 ! inorganic group [Term] id: CHEBI:46645 name: isobutanol namespace: chebi_ontology def: "An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-Hydroxymethylpropane" RELATED [KEGG_COMPOUND] synonym: "1-hydroxymethylpropane" RELATED [ChemIDplus] synonym: "2-Methyl-1-propanol" RELATED [KEGG_COMPOUND] synonym: "2-methyl-1-propanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-methylpropan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropanol" RELATED [NIST_Chemistry_WebBook] synonym: "74.073" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "74.12160" RELATED MASS [ChEBI] synonym: "C4H10O" RELATED FORMULA [ChEBI] synonym: "CC(C)CO" RELATED SMILES [ChEBI] synonym: "i-Butanol" RELATED [NIST_Chemistry_WebBook] synonym: "i-Butyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "IBA" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" RELATED InChI [ChEBI] synonym: "iso-butyl alcohol" RELATED [ChemIDplus] synonym: "iso-C4H9OH" RELATED [NIST_Chemistry_WebBook] synonym: "isobutanol" EXACT [ChemIDplus] synonym: "isobutyl alcohol" RELATED [ChemIDplus] synonym: "Isobutylalkohol" RELATED [NIST_Chemistry_WebBook] synonym: "isopropylcarbinol" RELATED [NIST_Chemistry_WebBook] synonym: "ZXEKIIBDNHEJCQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1730878 "ChemIDplus" xref: CAS:78-83-1 "NIST Chemistry WebBook" xref: colombos:ISOBUTANOL xref: Gmelin:49282 "Gmelin" xref: HMDB:HMDB06006 xref: KEGG:C14710 xref: PMID:24305546 "Europe PMC" xref: PMID:24430208 "Europe PMC" xref: Reaxys:1730878 "Reaxys" xref: Wikipedia:Isobutanol xref: YMDB:YMDB00573 is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:50584 ! alkyl alcohol relationship: has_parent_hydride CHEBI:30363 ! isobutane relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] id: CHEBI:46648 name: nitrite salt namespace: chebi_ontology subset: 1_STAR synonym: "nitrite salts" RELATED [ChEBI] is_a: CHEBI:25549 ! nitrites relationship: has_part CHEBI:16301 ! nitrite [Term] id: CHEBI:46686 name: azaalkane namespace: chebi_ontology subset: 3_STAR synonym: "azaalkanes" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:46687 name: diazaalkane namespace: chebi_ontology subset: 3_STAR synonym: "diazaalkanes" RELATED [ChEBI] is_a: CHEBI:39474 ! polyazaalkane [Term] id: CHEBI:46774 name: polyether namespace: chebi_ontology def: "Any ether that contains more than one ether linkage." [] subset: 3_STAR synonym: "polyether" EXACT [ChEBI] synonym: "polyethers" RELATED [ChEBI] is_a: CHEBI:25698 ! ether [Term] id: CHEBI:46786 name: diether namespace: chebi_ontology def: "A polyether in which the number of ether linkages is 2." [] subset: 3_STAR synonym: "diether" EXACT [ChEBI] synonym: "diethers" RELATED [ChEBI] is_a: CHEBI:46774 ! polyether [Term] id: CHEBI:46787 name: solvent namespace: chebi_ontology def: "A liquid that can dissolve other substances (solutes) without any change in their chemical composition." [] subset: 3_STAR synonym: "Loesungsmittel" RELATED [ChEBI] synonym: "solvant" RELATED [ChEBI] synonym: "solvents" RELATED [ChEBI] xref: Wikipedia:Solvent is_a: CHEBI:33232 ! application is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:46845 name: N-alkylpiperazine namespace: chebi_ontology subset: 3_STAR synonym: "N-alkylpiperazines" RELATED [ChEBI] is_a: CHEBI:26144 ! piperazines is_a: CHEBI:50996 ! tertiary amino compound [Term] id: CHEBI:46847 name: N-iminopiperazine namespace: chebi_ontology subset: 3_STAR synonym: "N-iminopiperazines" RELATED [ChEBI] is_a: CHEBI:26144 ! piperazines [Term] id: CHEBI:46848 name: N-arylpiperazine namespace: chebi_ontology subset: 3_STAR synonym: "N-arylpiperazines" RELATED [ChEBI] is_a: CHEBI:26144 ! piperazines is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:50996 ! tertiary amino compound [Term] id: CHEBI:46850 name: organoammonium salt namespace: chebi_ontology subset: 3_STAR synonym: "organoammonium salts" RELATED [ChEBI] is_a: CHEBI:35276 ! ammonium compound [Term] id: CHEBI:46867 name: indolyl carboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "indolyl carboxylic acids" RELATED [ChEBI] is_a: CHEBI:24828 ! indoles is_a: CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:46883 name: carboxy group namespace: chebi_ontology alt_id: CHEBI:23025 alt_id: CHEBI:41420 subset: 3_STAR synonym: "-C(O)OH" RELATED [IUPAC] synonym: "-CO2H" RELATED [ChEBI] synonym: "-COOH" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "44.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "45.01744" RELATED MASS [ChEBI] synonym: "carboxy" EXACT IUPAC_NAME [IUPAC] synonym: "CARBOXY GROUP" EXACT [PDBeChem] synonym: "carboxyl group" RELATED [ChEBI] synonym: "CHO2" RELATED FORMULA [ChEBI] xref: PDBeChem:CBX is_a: CHEBI:33249 ! organyl group [Term] id: CHEBI:46895 name: lipopeptide namespace: chebi_ontology def: "A compound consisting of a peptide with attached lipid." [] subset: 3_STAR synonym: "lipopeptides" RELATED [ChEBI] synonym: "LP" RELATED [ChEBI] xref: PMID:19889045 "Europe PMC" xref: PMID:20545290 "Europe PMC" xref: PMID:23131643 "Europe PMC" xref: PMID:23318669 "Europe PMC" xref: Wikipedia:Lipopeptide is_a: CHEBI:16670 ! peptide is_a: CHEBI:18059 ! lipid [Term] id: CHEBI:46920 name: N-methylpiperazine namespace: chebi_ontology subset: 3_STAR synonym: "N-methylpiperazines" RELATED [ChEBI] is_a: CHEBI:46845 ! N-alkylpiperazine [Term] id: CHEBI:46952 name: oxazinane namespace: chebi_ontology subset: 3_STAR synonym: "oxazinanes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:46997 name: L-ribose namespace: chebi_ontology def: "A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in L-glyceraldehyde." [] subset: 3_STAR synonym: "C5H10O5" RELATED FORMULA [ChEBI] synonym: "L-Rib" RELATED [JCBN] synonym: "L-ribo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "L-ribose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33942 ! ribose relationship: is_enantiomer_of CHEBI:16988 ! D-ribose [Term] id: CHEBI:46998 name: ribofuranose namespace: chebi_ontology def: "A cyclic ribose having a 5-membered tetrahydrofuran ring; the predominant (C3'-endo) form of the two cyclic structures (the other is the \"C2'-endo\" form, having a 6-membered ring) adopted by ribose in aqueous solution." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "C5H10O5" RELATED FORMULA [ChEBI] synonym: "rel-(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol" RELATED [IUPAC] synonym: "ribofuranose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33942 ! ribose relationship: has_role CHEBI:84735 ! algal metabolite [Term] id: CHEBI:47000 name: L-ribofuranose namespace: chebi_ontology def: "An ribofuranose having L-configuration." [] subset: 3_STAR synonym: "(3S,4R,5S)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "C5H10O5" RELATED FORMULA [ChEBI] synonym: "HMFHBZSHGGEWLO-OWMBCFKOSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m0/s1" RELATED InChI [ChEBI] synonym: "L-ribofuranose" EXACT IUPAC_NAME [IUPAC] synonym: "OC[C@@H]1OC(O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] xref: Beilstein:1904879 "Beilstein" is_a: CHEBI:46997 ! L-ribose is_a: CHEBI:46998 ! ribofuranose [Term] id: CHEBI:47004 name: alpha-L-ribose namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "alpha-L-Rib" RELATED [JCBN] synonym: "alpha-L-ribofuranose" EXACT IUPAC_NAME [IUPAC] synonym: "C5H10O5" RELATED FORMULA [ChEBI] synonym: "HMFHBZSHGGEWLO-NEEWWZBLSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m0/s1" RELATED InChI [ChEBI] synonym: "OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] xref: Beilstein:8977514 "Beilstein" is_a: CHEBI:47000 ! L-ribofuranose relationship: is_enantiomer_of CHEBI:45506 ! alpha-D-ribose [Term] id: CHEBI:47013 name: D-ribofuranose namespace: chebi_ontology alt_id: CHEBI:4233 alt_id: CHEBI:46999 def: "A ribofuranose having D-configuration." [] subset: 3_STAR synonym: "(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.053" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "C5H10O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "D-ribofuranose" EXACT IUPAC_NAME [IUPAC] synonym: "D-Ribose" RELATED [KEGG_COMPOUND] synonym: "D-ribose" RELATED [UniProt] synonym: "HMFHBZSHGGEWLO-SOOFDHNKSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@H]1OC(O)[C@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "ribose" RELATED [ChemIDplus] xref: Beilstein:1904878 "Beilstein" xref: CAS:50-69-1 "KEGG COMPOUND" xref: Gmelin:364108 "Gmelin" xref: KEGG:C00121 xref: Patent:US2152662 xref: PMID:9506998 "Europe PMC" xref: Reaxys:1904878 "Reaxys" is_a: CHEBI:16988 ! D-ribose is_a: CHEBI:46998 ! ribofuranose [Term] id: CHEBI:47016 name: tetrahydrofuranone namespace: chebi_ontology def: "Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring." [] subset: 3_STAR synonym: "tetrahydrofuranones" RELATED [ChEBI] xref: PMID:6047194 "Europe PMC" is_a: CHEBI:26912 ! oxolanes [Term] id: CHEBI:47017 name: tetrahydrofuranol namespace: chebi_ontology subset: 3_STAR synonym: "tetrahydrofuranols" RELATED [ChEBI] is_a: CHEBI:26912 ! oxolanes [Term] id: CHEBI:47018 name: monohydroxytetrahydrofuran namespace: chebi_ontology subset: 3_STAR synonym: "monohydroxytetrahydrofurans" RELATED [ChEBI] is_a: CHEBI:47017 ! tetrahydrofuranol [Term] id: CHEBI:47019 name: dihydroxytetrahydrofuran namespace: chebi_ontology subset: 3_STAR synonym: "dihydroxytetrahydrofurans" RELATED [ChEBI] is_a: CHEBI:47017 ! tetrahydrofuranol [Term] id: CHEBI:47037 name: cyclic purine dinucleotide namespace: chebi_ontology subset: 3_STAR synonym: "cyclic purine dinucleotide" EXACT [ChEBI] synonym: "cyclic purine dinucleotides" RELATED [ChEBI] is_a: CHEBI:36982 ! cyclic purine nucleotide [Term] id: CHEBI:47266 name: hydrogen bromide namespace: chebi_ontology alt_id: CHEBI:29134 alt_id: CHEBI:31673 def: "A diatomic molecule containing covalently bonded hydrogen and bromine atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "79.926" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "79.926" RELATED MONOISOTOPIC_MASS [ChemIDplus] synonym: "80.91194" RELATED MASS [ChEBI] synonym: "[HBr]" RELATED [IUPAC] synonym: "Br[H]" RELATED SMILES [ChEBI] synonym: "BrH" RELATED FORMULA [ChemIDplus] synonym: "bromane" EXACT IUPAC_NAME [IUPAC] synonym: "bromidohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "bromure d'hydrogene" RELATED [ChEBI] synonym: "Bromwasserstoff" RELATED [NIST_Chemistry_WebBook] synonym: "CPELXLSAUQHCOX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "HBr" RELATED FORMULA [KEGG_COMPOUND] synonym: "HBr" RELATED [KEGG_COMPOUND] synonym: "Hydrobromic acid" RELATED [KEGG_COMPOUND] synonym: "hydrogen bromide" EXACT [NIST_Chemistry_WebBook] synonym: "hydrogen bromide" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenbromid" RELATED [ChEBI] synonym: "InChI=1S/BrH/h1H" RELATED InChI [ChEBI] xref: CAS:10035-10-6 "KEGG COMPOUND" xref: Gmelin:620 "Gmelin" xref: KEGG:C13645 is_a: CHEBI:18140 ! hydrogen halide is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_acid_of CHEBI:15858 ! bromide relationship: is_conjugate_base_of CHEBI:50316 ! bromonium [Term] id: CHEBI:47537 name: L-glucaric acid namespace: chebi_ontology alt_id: CHEBI:21300 alt_id: CHEBI:47536 def: "The L-enantiomer of glucaric acid." [] subset: 3_STAR synonym: "(2R,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "210.038" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "210.13880" RELATED MASS [ChEBI] synonym: "C6H10O8" RELATED FORMULA [ChEBI] synonym: "DSLZVSRJTYRBFB-AJSXGEPRSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m1/s1" RELATED InChI [ChEBI] synonym: "L-GLUCARIC ACID" EXACT [PDBeChem] synonym: "L-glucaric acid" EXACT IUPAC_NAME [IUPAC] synonym: "O[C@H]([C@@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1728120 "Beilstein" xref: PDBeChem:LGT xref: Reaxys:1728120 "Reaxys" is_a: CHEBI:17301 ! glucaric acid relationship: is_enantiomer_of CHEBI:16002 ! D-glucaric acid [Term] id: CHEBI:47622 name: acetate ester namespace: chebi_ontology alt_id: CHEBI:13244 alt_id: CHEBI:13799 alt_id: CHEBI:22189 alt_id: CHEBI:2406 def: "Any carboxylic ester where the carboxylic acid component is acetic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "59.013" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "59.013" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "59.04400" RELATED MASS [ChEBI] synonym: "acetate" RELATED [ChEBI] synonym: "acetate esters" RELATED [ChEBI] synonym: "acetates" RELATED [ChEBI] synonym: "Acetic ester" RELATED [KEGG_COMPOUND] synonym: "Acetyl ester" RELATED [KEGG_COMPOUND] synonym: "acetyl esters" RELATED [ChEBI] synonym: "an acetyl ester" RELATED [UniProt] synonym: "C2H3O2R" RELATED FORMULA [KEGG_COMPOUND] synonym: "C2H3O2R" RELATED FORMULA [ChEBI] synonym: "CC(=O)O[*]" RELATED SMILES [ChEBI] xref: KEGG:C01883 xref: Wikipedia:Acetate#Esters is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:15366 ! acetic acid [Term] id: CHEBI:47704 name: ammonium salt namespace: chebi_ontology subset: 3_STAR synonym: "ammonium salt" EXACT [ChEBI] synonym: "ammonium salts" RELATED [ChEBI] synonym: "Ammoniumsalz" RELATED [ChEBI] synonym: "Ammoniumsalze" RELATED [ChEBI] is_a: CHEBI:35276 ! ammonium compound relationship: has_part CHEBI:28938 ! ammonium [Term] id: CHEBI:47779 name: aminoglycoside namespace: chebi_ontology subset: 3_STAR synonym: "aminoglycosides" RELATED [ChEBI] is_a: CHEBI:24400 ! glycoside [Term] id: CHEBI:47788 name: 3-oxo steroid namespace: chebi_ontology alt_id: CHEBI:13607 alt_id: CHEBI:1653 alt_id: CHEBI:20182 alt_id: CHEBI:71186 def: "Any oxo steroid where an oxo substituent is located at position 3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "273.222" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "273.434" RELATED MASS [ChEBI] synonym: "3-oxo steroids" RELATED [ChEBI] synonym: "3-Oxosteroid" RELATED [KEGG_COMPOUND] synonym: "3-oxosteroids" RELATED [ChEBI] synonym: "a 3-oxosteroid" RELATED [UniProt] synonym: "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)=O)C" RELATED SMILES [ChEBI] synonym: "C19H29OR" RELATED FORMULA [ChEBI] xref: KEGG:C01876 xref: MetaCyc:3-Oxosteroids xref: PMID:9811880 "SUBMITTER" is_a: CHEBI:35789 ! oxo steroid is_a: CHEBI:3992 ! cyclic ketone [Term] id: CHEBI:47811 name: penamcarboxylate namespace: chebi_ontology subset: 3_STAR synonym: "penamcarboxylates" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:35992 ! penams [Term] id: CHEBI:47857 name: ureas namespace: chebi_ontology alt_id: CHEBI:27220 alt_id: CHEBI:36947 subset: 3_STAR synonym: "urea derivatives" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide relationship: has_functional_parent CHEBI:16199 ! urea [Term] id: CHEBI:47867 name: indicator namespace: chebi_ontology def: "Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc." [] subset: 3_STAR synonym: "Indikator" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:47868 name: photosensitizing agent namespace: chebi_ontology def: "A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells." [] subset: 3_STAR synonym: "photosensitising agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:47877 name: hexose 6-phosphate namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:47878 ! hexose phosphate [Term] id: CHEBI:47878 name: hexose phosphate namespace: chebi_ontology def: "A phospho sugar that is formally obtained from a hexose." [] subset: 3_STAR synonym: "hexose phosphate" EXACT [ChEBI] is_a: CHEBI:33447 ! phospho sugar is_a: CHEBI:63385 ! hexose derivative [Term] id: CHEBI:47881 name: 3-oxo monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:13600 alt_id: CHEBI:1619 alt_id: CHEBI:35949 subset: 3_STAR synonym: "3-Keto acid" RELATED [KEGG_COMPOUND] synonym: "3-Oxo acid" RELATED [KEGG_COMPOUND] synonym: "3-oxo monocarboxylic acids" RELATED [ChEBI] synonym: "3-oxomonocarboxylic acid" RELATED [ChEBI] synonym: "3-oxomonocarboxylic acids" RELATED [ChEBI] synonym: "C3H2O3R2" RELATED FORMULA [KEGG_COMPOUND] xref: KEGG:C01656 is_a: CHEBI:35871 ! oxo monocarboxylic acid [Term] id: CHEBI:47891 name: steroid acid namespace: chebi_ontology def: "Any steroid substituted by at least one carboxy group." [] subset: 3_STAR synonym: "steroid acids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid is_a: CHEBI:64709 ! organic acid [Term] id: CHEBI:47901 name: alkanesulfonic acid namespace: chebi_ontology alt_id: CHEBI:13809 alt_id: CHEBI:33553 def: "Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an alkyl group." [] subset: 3_STAR synonym: "alkanesulfonic acid" EXACT [UniProt] synonym: "alkanesulfonic acids" RELATED [ChEBI] synonym: "alkylsulfonic acids" RELATED [ChEBI] is_a: CHEBI:33551 ! organosulfonic acid relationship: has_part CHEBI:22323 ! alkyl group [Term] id: CHEBI:47909 name: 3-oxo-Delta(4) steroid namespace: chebi_ontology alt_id: CHEBI:13604 alt_id: CHEBI:1626 alt_id: CHEBI:20157 def: "A 3-oxo steroid conjugated to a C=C double bond at the alpha,beta position." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "271.206" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "271.418" RELATED MASS [ChEBI] synonym: "3-oxo Delta(4)-steroid" RELATED [ChEBI] synonym: "3-oxo Delta(4)-steroids" RELATED [ChEBI] synonym: "3-oxo-Delta(4) steroids" RELATED [ChEBI] synonym: "3-Oxo-delta4-steroid" RELATED [KEGG_COMPOUND] synonym: "a 3-oxo-Delta(4)-steroid" RELATED [UniProt] synonym: "C12C(C3C(C(CC3)*)(C)CC1)CCC=4C2(CCC(C4)=O)C" RELATED SMILES [ChEBI] synonym: "C19H27OR" RELATED FORMULA [ChEBI] xref: KEGG:C00619 xref: MetaCyc:3-Oxo-Delta-4-Steroids is_a: CHEBI:47788 ! 3-oxo steroid is_a: CHEBI:51689 ! enone relationship: has_part CHEBI:136849 ! 3-oxo-Delta(4)-steroid group [Term] id: CHEBI:47916 name: flavonoid namespace: chebi_ontology alt_id: CHEBI:13638 alt_id: CHEBI:24044 alt_id: CHEBI:5077 def: "Any member of the 'superclass' flavonoids whose skeleton is based on 1-benzopyran with an aryl substituent at position 2. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "2-aryl-1-benzopyran" RELATED [ChEBI] synonym: "2-aryl-1-benzopyrans" RELATED [ChEBI] synonym: "Flavonoid" EXACT [KEGG_COMPOUND] synonym: "flavonoid" EXACT [UniProt] synonym: "flavonoids" RELATED [ChEBI] xref: KEGG:C01579 xref: Wikipedia:Flavonoid is_a: CHEBI:72544 ! flavonoids relationship: has_functional_parent CHEBI:26004 ! phenylpropanoid relationship: has_functional_parent CHEBI:38443 ! 1-benzopyran [Term] id: CHEBI:47923 name: tripeptide namespace: chebi_ontology alt_id: CHEBI:27138 alt_id: CHEBI:9742 def: "Any molecule that contains three amino-acid residues connected by peptide linkages." [] subset: 3_STAR synonym: "C6H8N3O4R3" RELATED FORMULA [KEGG_COMPOUND] synonym: "Tripeptide" EXACT [KEGG_COMPOUND] synonym: "tripeptides" RELATED [ChEBI] xref: KEGG:C00316 is_a: CHEBI:25676 ! oligopeptide [Term] id: CHEBI:47965 name: N-acetylmuramic acid namespace: chebi_ontology subset: 3_STAR synonym: "2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucose" RELATED [IUPAC] synonym: "2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "acetylmuramic acid" RELATED [ChemIDplus] synonym: "C11H19NO8" RELATED FORMULA [ChEBI] xref: CAS:1856-93-5 "ChemIDplus" is_a: CHEBI:25432 ! muramic acids relationship: is_conjugate_acid_of CHEBI:47978 ! N-acetylmuramate [Term] id: CHEBI:47968 name: N-acetylmuramic acid 6-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-6-O-phosphono-D-glucose" RELATED [IUPAC] synonym: "2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucose 6-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "373.077" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "373.25040" RELATED MASS [ChEBI] synonym: "C11H20NO11P" RELATED FORMULA [ChEBI] synonym: "C[C@@H](O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC(O)[C@@H]1NC(C)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11?/m1/s1" RELATED InChI [ChEBI] synonym: "MurNAc 6-phosphate" RELATED [KEGG_COMPOUND] synonym: "MurNAc-6-P" RELATED [ChEBI] synonym: "NMEMTQKUEVNSPV-MKFCKLDKSA-N" RELATED InChIKey [ChEBI] xref: KEGG:C16698 is_a: CHEBI:25432 ! muramic acids relationship: has_functional_parent CHEBI:47965 ! N-acetylmuramic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:58722 ! N-acetylmuramate 6-phosphate [Term] id: CHEBI:47978 name: N-acetylmuramate namespace: chebi_ontology subset: 1_STAR synonym: "2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "C11H18NO8" RELATED FORMULA [ChEBI] is_a: CHEBI:33985 ! muramates relationship: is_conjugate_base_of CHEBI:47965 ! N-acetylmuramic acid [Term] id: CHEBI:48001 name: protein synthesis inhibitor namespace: chebi_ontology def: "A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein." [] subset: 3_STAR synonym: "protein synthesis antagonist" RELATED [ChEBI] synonym: "protein synthesis antagonists" RELATED [ChEBI] synonym: "protein synthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:48107 name: nitric acid namespace: chebi_ontology alt_id: CHEBI:25545 alt_id: CHEBI:7580 def: "A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "62.996" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "62.996" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "63.01280" RELATED MASS [ChEBI] synonym: "[NO2(OH)]" RELATED [IUPAC] synonym: "acide azotique" RELATED [ChEBI] synonym: "acide nitrique" RELATED [ChemIDplus] synonym: "azotic acid" RELATED [ChemIDplus] synonym: "GRYLNZFGIOXLOG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "HNO3" RELATED [IUPAC] synonym: "HNO3" RELATED FORMULA [ChEBI] synonym: "HNO3" RELATED FORMULA [KEGG_COMPOUND] synonym: "HONO2" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen nitrate" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen trioxonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidonitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)" RELATED InChI [ChEBI] synonym: "Nitric acid" EXACT [KEGG_COMPOUND] synonym: "O[N+]([O-])=O" RELATED SMILES [ChEBI] synonym: "Salpetersaeure" RELATED [ChemIDplus] synonym: "trioxonitric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7697-37-2 "ChemIDplus" xref: Gmelin:1576 "Gmelin" xref: KEGG:C00244 xref: KEGG:D02313 xref: MetaCyc:CPD-15028 xref: PMID:22285512 "Europe PMC" xref: PMID:23402861 "Europe PMC" xref: Reaxys:3587310 "Reaxys" xref: Wikipedia:Nitric_acid is_a: CHEBI:33455 ! nitrogen oxoacid relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:48356 ! protic solvent relationship: is_conjugate_acid_of CHEBI:17632 ! nitrate [Term] id: CHEBI:48136 name: xanthosines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26399 ! purine ribonucleoside [Term] id: CHEBI:48154 name: sulfur oxide namespace: chebi_ontology subset: 3_STAR synonym: "oxides of sulfur" RELATED [ChEBI] synonym: "Schwefeloxide" RELATED [ChEBI] synonym: "sulfur oxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:48218 name: antiseptic drug namespace: chebi_ontology def: "A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body)." [] subset: 3_STAR synonym: "antiseptic" RELATED [ChEBI] synonym: "antiseptic agent" RELATED [ChEBI] synonym: "antiseptic agents" RELATED [ChEBI] synonym: "antiseptics" RELATED [ChEBI] synonym: "local antiinfective agents" RELATED [ChEBI] synonym: "local microbicides" RELATED [ChEBI] synonym: "topical antiinfective agents" RELATED [ChEBI] synonym: "topical microbicides" RELATED [ChEBI] xref: Wikipedia:Antiseptic is_a: CHEBI:35441 ! antiinfective agent [Term] id: CHEBI:48219 name: disinfectant namespace: chebi_ontology def: "An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity." [] subset: 3_STAR synonym: "desinfectant" RELATED [ChEBI] synonym: "Desinfektionsmittel" RELATED [ChEBI] synonym: "disinfectants" RELATED [ChEBI] synonym: "disinfecting agent" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:48354 name: polar solvent namespace: chebi_ontology def: "A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds." [] subset: 3_STAR synonym: "polar solvent" EXACT IUPAC_NAME [IUPAC] synonym: "polar solvents" RELATED [ChEBI] is_a: CHEBI:46787 ! solvent [Term] id: CHEBI:48355 name: non-polar solvent namespace: chebi_ontology subset: 1_STAR synonym: "non-polar solvents" RELATED [ChEBI] is_a: CHEBI:46787 ! solvent [Term] id: CHEBI:48356 name: protic solvent namespace: chebi_ontology def: "A polar solvent that is capable of acting as a hydron (proton) donor." [] subset: 3_STAR synonym: "protogenic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:39141 ! Bronsted acid is_a: CHEBI:48354 ! polar solvent [Term] id: CHEBI:48357 name: aprotic solvent namespace: chebi_ontology subset: 1_STAR synonym: "aprotic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:46787 ! solvent [Term] id: CHEBI:48358 name: polar aprotic solvent namespace: chebi_ontology def: "A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds." [] subset: 3_STAR synonym: "dipolar aprotic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:48354 ! polar solvent is_a: CHEBI:48357 ! aprotic solvent [Term] id: CHEBI:48359 name: protophilic solvent namespace: chebi_ontology subset: 1_STAR synonym: "HBA solvent" RELATED [ChEBI] synonym: "hydrogen bond acceptor solvent" RELATED [ChEBI] synonym: "protophilic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:39142 ! Bronsted base is_a: CHEBI:48354 ! polar solvent [Term] id: CHEBI:48360 name: amphiprotic solvent namespace: chebi_ontology subset: 1_STAR synonym: "amphiprotic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:48356 ! protic solvent is_a: CHEBI:48359 ! protophilic solvent [Term] id: CHEBI:48369 name: organic bromide salt namespace: chebi_ontology subset: 3_STAR synonym: "organic bromide salts" RELATED [ChEBI] is_a: CHEBI:22925 ! bromide salt is_a: CHEBI:51069 ! organic halide salt [Term] id: CHEBI:48376 name: carbamimidic acid namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "60.032" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.05534" RELATED MASS [ChEBI] synonym: "carbamimic acid" RELATED [ChemIDplus] synonym: "carbamimidic acid" EXACT IUPAC_NAME [IUPAC] synonym: "carbonamidimidic acid" RELATED [IUPAC] synonym: "CH4N2O" RELATED FORMULA [ChEBI] synonym: "H2N-C(=NH)-OH" RELATED [IUPAC] synonym: "H2N-C(OH)=NH" RELATED [IUPAC] synonym: "HO-C(=NH)-NH2" RELATED [IUPAC] synonym: "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" RELATED InChI [ChEBI] synonym: "Isoharnstoff" RELATED [ChEBI] synonym: "isourea" RELATED [ChemIDplus] synonym: "NC(O)=N" RELATED SMILES [ChEBI] synonym: "pseudourea" RELATED [ChemIDplus] synonym: "XSQUKJJJFZCRTK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:773698 "Beilstein" xref: CAS:4744-36-9 "ChemIDplus" is_a: CHEBI:48379 ! isourea is_a: CHEBI:64708 ! one-carbon compound relationship: is_tautomer_of CHEBI:16199 ! urea [Term] id: CHEBI:48377 name: imidic acid namespace: chebi_ontology def: "Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH)." [] subset: 3_STAR synonym: "imidic acid" EXACT [ChEBI] synonym: "imidic acids" EXACT IUPAC_NAME [IUPAC] synonym: "imidic acids" RELATED [ChEBI] synonym: "imino acids" RELATED [IUPAC] is_a: CHEBI:33241 ! oxoacid derivative is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:48378 name: carboximidic acid namespace: chebi_ontology subset: 3_STAR synonym: "carboximidic acid" EXACT [ChEBI] synonym: "carboximidic acids" EXACT IUPAC_NAME [IUPAC] synonym: "carboximidic acids" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:48377 ! imidic acid [Term] id: CHEBI:48379 name: isourea namespace: chebi_ontology def: "A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives." [] subset: 3_STAR synonym: "isoureas" EXACT IUPAC_NAME [IUPAC] synonym: "isoureas" RELATED [ChEBI] is_a: CHEBI:48378 ! carboximidic acid [Term] id: CHEBI:48422 name: angiogenesis inhibitor namespace: chebi_ontology alt_id: CHEBI:67170 def: "An agent and endogenous substances that antagonize or inhibit the development of new blood vessels." [] subset: 3_STAR synonym: "angiogenesis antagonist" RELATED [ChEBI] synonym: "angiostatic agents" RELATED [ChEBI] synonym: "anti-angiogenic agent" RELATED [ChEBI] xref: Wikipedia:Angiogenesis_inhibitor is_a: CHEBI:23888 ! drug [Term] id: CHEBI:48544 name: methanesulfonates namespace: chebi_ontology def: "Esters or salts of methanesulfonic acid." [] subset: 3_STAR is_a: CHEBI:33261 ! organosulfur compound relationship: has_functional_parent CHEBI:27376 ! methanesulfonic acid [Term] id: CHEBI:48578 name: radical scavenger namespace: chebi_ontology def: "A role played by a substance that can react readily with, and thereby eliminate, radicals." [] subset: 3_STAR synonym: "free radical scavengers" RELATED [ChEBI] synonym: "free-radical scavenger" RELATED [ChEBI] is_a: CHEBI:22586 ! antioxidant [Term] id: CHEBI:48705 name: agonist namespace: chebi_ontology def: "Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own." [] subset: 3_STAR synonym: "agonist" EXACT IUPAC_NAME [IUPAC] synonym: "agonista" RELATED [ChEBI] synonym: "agoniste" RELATED [ChEBI] synonym: "agonists" RELATED [ChEBI] is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:48706 name: antagonist namespace: chebi_ontology def: "Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances." [] subset: 3_STAR synonym: "antagonist" EXACT IUPAC_NAME [IUPAC] synonym: "antagonista" RELATED [ChEBI] synonym: "antagoniste" RELATED [ChEBI] synonym: "antagonists" RELATED [ChEBI] is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:48775 name: cadmium(2+) namespace: chebi_ontology alt_id: CHEBI:3290 alt_id: CHEBI:48773 subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "112.41100" RELATED MASS [ChEBI] synonym: "113.903" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Cd++]" RELATED SMILES [ChEBI] synonym: "CADMIUM ION" RELATED [PDBeChem] synonym: "cadmium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium, ion (Cd2+)" RELATED [ChemIDplus] synonym: "Cd" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cd(2+)" RELATED [IUPAC] synonym: "Cd(2+)" RELATED [UniProt] synonym: "Cd2+" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/Cd/q+2" RELATED InChI [ChEBI] synonym: "WLZRMCYVCSSEQC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:22537-48-0 "ChemIDplus" xref: Gmelin:6851 "Gmelin" xref: KEGG:C01413 xref: PDBeChem:CD is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation is_a: CHEBI:63063 ! cadmium cation [Term] id: CHEBI:48819 name: cyano group namespace: chebi_ontology alt_id: CHEBI:36824 alt_id: CHEBI:48818 subset: 3_STAR synonym: "-C#N" RELATED [IUPAC] synonym: "-CN" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "26.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "26.01744" RELATED MASS [ChEBI] synonym: "carbonitrile group" RELATED [ChEBI] synonym: "CN" RELATED FORMULA [ChEBI] synonym: "CYANIDE GROUP" RELATED [PDBeChem] synonym: "cyanido" EXACT IUPAC_NAME [IUPAC] synonym: "cyano" EXACT IUPAC_NAME [IUPAC] synonym: "NC-" RELATED [IUPAC] xref: PDBeChem:CN is_a: CHEBI:36823 ! pseudohalo group relationship: is_substituent_group_from CHEBI:18407 ! hydrogen cyanide [Term] id: CHEBI:48828 name: cobalt(2+) namespace: chebi_ontology alt_id: CHEBI:23337 alt_id: CHEBI:48827 subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "58.933" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "58.93320" RELATED MASS [ChEBI] synonym: "[Co++]" RELATED SMILES [ChEBI] synonym: "Co" RELATED FORMULA [ChEBI] synonym: "Co(2+)" RELATED [UniProt] synonym: "Co(II)" RELATED [KEGG_COMPOUND] synonym: "Co2+" RELATED [ChEBI] synonym: "Co2+" RELATED [KEGG_COMPOUND] synonym: "COBALT (II) ION" RELATED [PDBeChem] synonym: "Cobalt(2+)" EXACT [KEGG_COMPOUND] synonym: "cobalt(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt(2+) ion" RELATED [ChEBI] synonym: "cobalt(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt(II) cation" RELATED [ChEBI] synonym: "cobaltous ion" RELATED [ChEBI] synonym: "InChI=1S/Co/q+2" RELATED InChI [ChEBI] synonym: "XLJKHNWPARRRJB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:22541-53-3 "ChemIDplus" xref: Gmelin:6853 "Gmelin" xref: KEGG:C00175 xref: PDBeChem:CO is_a: CHEBI:23336 ! cobalt cation is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation [Term] id: CHEBI:4883 name: ethidium bromide namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide" RELATED [ChemIDplus] synonym: "2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide" RELATED [ChemIDplus] synonym: "3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide" EXACT IUPAC_NAME [IUPAC] synonym: "393.084" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "393.084" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "394.30800" RELATED MASS [ChEBI] synonym: "[Br-].CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12" RELATED SMILES [ChEBI] synonym: "C21H20BrN3" RELATED FORMULA [ChEBI] synonym: "C21H20N3.Br" RELATED FORMULA [KEGG_COMPOUND] synonym: "Dromilac" RELATED [ChemIDplus] synonym: "EtBr" RELATED [ChEBI] synonym: "Ethidium bromide" EXACT [KEGG_COMPOUND] synonym: "Homidium bromide" RELATED [KEGG_COMPOUND] synonym: "InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H" RELATED InChI [ChEBI] synonym: "ZMMJGEGLRURXTF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:3642536 "Beilstein" xref: CAS:1239-45-8 "ChemIDplus" xref: KEGG:C11161 is_a: CHEBI:48369 ! organic bromide salt relationship: has_part CHEBI:42478 ! ethidium relationship: has_role CHEBI:36335 ! trypanocidal drug [Term] id: CHEBI:48840 name: selenite salt namespace: chebi_ontology def: "Salts of selenous acid." [] subset: 3_STAR synonym: "selenite salts" RELATED [ChEBI] synonym: "Selenitsalz" RELATED [ChEBI] synonym: "Selenitsalze" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:26626 ! selenites [Term] id: CHEBI:48843 name: disodium selenite namespace: chebi_ontology def: "An inorganic sodium salt composed of sodium and selenite ions in a 2:1 ratio." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "172.93774" RELATED MASS [ChEBI] synonym: "173.881" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[Na+].[Na+].[O-][Se]([O-])=O" RELATED SMILES [ChEBI] synonym: "BVTBRVFYZUCAKH-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "disodium selenite" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2" RELATED InChI [ChEBI] synonym: "Na2O3Se" RELATED FORMULA [ChEBI] synonym: "Natriumselenit" RELATED [ChemIDplus] synonym: "sodium selenite" RELATED [ChemIDplus] xref: CAS:10102-18-8 "KEGG COMPOUND" xref: Gmelin:30272 "Gmelin" xref: KEGG:C18385 xref: Wikipedia:Sodium_selenite is_a: CHEBI:38702 ! inorganic sodium salt is_a: CHEBI:48840 ! selenite salt relationship: has_role CHEBI:50733 ! nutraceutical [Term] id: CHEBI:48854 name: sulfurous acid namespace: chebi_ontology alt_id: CHEBI:26837 alt_id: CHEBI:9344 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "81.972" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "82.08008" RELATED MASS [ChEBI] synonym: "[SO(OH)2]" RELATED [IUPAC] synonym: "acide sulfureux" RELATED [ChEBI] synonym: "acido sulfuroso" RELATED [ChEBI] synonym: "dihydrogen trioxosulfate" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidooxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "H2O3S" RELATED FORMULA [KEGG_COMPOUND] synonym: "H2SO3" RELATED [IUPAC] synonym: "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)" RELATED InChI [ChEBI] synonym: "LSNNMFCWUKXFEE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "OS(O)=O" RELATED SMILES [ChEBI] synonym: "S(O)(OH)2" RELATED [IUPAC] synonym: "schweflige Saeure" RELATED [ChemIDplus] synonym: "Sulfite" RELATED [KEGG_COMPOUND] synonym: "Sulfurous acid" EXACT [KEGG_COMPOUND] synonym: "sulfurous acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulphurous acid" RELATED [ChemIDplus] synonym: "trioxosulfuric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7782-99-2 "ChemIDplus" xref: Gmelin:1458 "Gmelin" xref: KEGG:C00094 xref: KNApSAcK:C00019662 xref: PDBeChem:SO3 xref: UM-BBD_compID:c0348 "UM-BBD" is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:17137 ! hydrogensulfite relationship: is_tautomer_of CHEBI:29214 ! sulfonic acid [Term] id: CHEBI:48871 name: galactaric acid anion namespace: chebi_ontology alt_id: CHEBI:24136 alt_id: CHEBI:33799 subset: 3_STAR synonym: "galactarate" RELATED [ChEBI] synonym: "galactarates" RELATED [ChEBI] synonym: "galactaric acid anions" RELATED [ChEBI] is_a: CHEBI:24576 ! hexaric acid anion relationship: is_conjugate_base_of CHEBI:30852 ! galactaric acid [Term] id: CHEBI:48873 name: cholinergic antagonist namespace: chebi_ontology def: "Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists." [] subset: 3_STAR synonym: "acetylcholine antagonists" RELATED [ChEBI] synonym: "acetylcholine receptor antagonist" RELATED [IUPHAR] synonym: "agent anticholinergique" RELATED [ChEBI] synonym: "agente anticolinergico" RELATED [ChEBI] synonym: "agentes anticolinergicos" RELATED [ChEBI] synonym: "anticholinergic agents" RELATED [ChEBI] synonym: "anticholinergics" RELATED [ChEBI] synonym: "Anticholinergika" RELATED [ChEBI] synonym: "Anticholinergikum" RELATED [ChEBI] synonym: "anticholinergiques" RELATED [ChEBI] synonym: "anticolinergicos" RELATED [ChEBI] synonym: "cholinergic-blocking agents" RELATED [ChEBI] is_a: CHEBI:38323 ! cholinergic drug [Term] id: CHEBI:48901 name: thiazoles namespace: chebi_ontology def: "An azole in which the five-membered heterocyclic aromatic skeleton contains a N atom and one S atom." [] subset: 3_STAR is_a: CHEBI:38106 ! organosulfur heterocyclic compound is_a: CHEBI:68452 ! azole [Term] id: CHEBI:48914 name: glucaric acid anion namespace: chebi_ontology alt_id: CHEBI:24257 alt_id: CHEBI:33800 subset: 3_STAR synonym: "glucarate" RELATED [ChEBI] synonym: "glucarates" RELATED [ChEBI] synonym: "glucaric acid anions" RELATED [ChEBI] is_a: CHEBI:24576 ! hexaric acid anion [Term] id: CHEBI:48923 name: erythromycin namespace: chebi_ontology def: "Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus)." [] subset: 3_STAR synonym: "eritromicina" RELATED [ChEBI] synonym: "erthromycin" RELATED [ChEBI] synonym: "erythromycine" RELATED [ChEBI] xref: colombos:ERYTHROMYCIN xref: colombos:ERYTHROMYCIN\:+UNKNOWN xref: DrugBank:DB00199 xref: HMDB:HMDB14344 xref: Patent:US2653899 xref: Wikipedia:Erythromycin is_a: CHEBI:23953 ! erythromycins relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:64290 ! erythromycin cation [Term] id: CHEBI:48929 name: 3-carboxy-2,3-dihydroxypropanoate namespace: chebi_ontology def: "A tartaric acid anion that is the conjugate base of 2,3-dihydroxybutanedioic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "149.009" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "149.07890" RELATED MASS [ChEBI] synonym: "3-carboxy-2,3-dihydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "C4H5O6" RELATED FORMULA [ChEBI] synonym: "FEWJPZIEWOKRBE-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1" RELATED InChI [ChEBI] synonym: "OC(C(O)C([O-])=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:3905887 "Beilstein" xref: Reaxys:3905887 "Reaxys" is_a: CHEBI:132950 ! tartrate relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:30929 ! 2,3-dihydroxybutanedioate relationship: is_conjugate_base_of CHEBI:15674 ! 2,3-dihydroxybutanedioic acid [Term] id: CHEBI:48975 name: substituted aniline namespace: chebi_ontology subset: 3_STAR synonym: "substituted anilines" RELATED [ChEBI] is_a: CHEBI:22562 ! anilines [Term] id: CHEBI:49095 name: beta-amino-acid anion namespace: chebi_ontology subset: 1_STAR synonym: "beta-amino acid anions" RELATED [ChEBI] synonym: "beta-amino-acid anion" EXACT [ChEBI] synonym: "beta-amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion [Term] id: CHEBI:49105 name: thiamine hydrochloride namespace: chebi_ontology def: "A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride" EXACT IUPAC_NAME [IUPAC] synonym: "3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "336.058" RELATED MONOISOTOPIC_MASS [KEGG_DRUG] synonym: "336.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "337.270" RELATED MASS [ChEBI] synonym: "C([N+]=1C(=C(SC1)CCO)C)C=2C(=NC(C)=NC2)N.[Cl-].Cl" RELATED SMILES [ChEBI] synonym: "C12H17N4OS.HCl.Cl" RELATED FORMULA [KEGG_DRUG] synonym: "C12H18Cl2N4OS" RELATED FORMULA [ChEBI] synonym: "DPJRMOMPQZCRJU-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1" RELATED InChI [ChEBI] synonym: "thiamine chloride hydrochloride" RELATED [ChemIDplus] synonym: "thiamine dichloride" RELATED [ChemIDplus] synonym: "thiamine HCl" RELATED [ChemIDplus] synonym: "thiamine(2+) dichloride" RELATED [ChemIDplus] synonym: "thiaminium chloride hydrochloride" RELATED [ChemIDplus] xref: Beilstein:3642937 "Beilstein" xref: Beilstein:3851771 "Beilstein" xref: CAS:67-03-8 "ChemIDplus" xref: Gmelin:31154 "Gmelin" xref: Gmelin:691133 "Gmelin" xref: KEGG:D02094 xref: PMID:12224421 "Europe PMC" xref: PMID:26616989 "Europe PMC" xref: PMID:27163892 "Europe PMC" xref: Reaxys:17124533 "Reaxys" xref: Wikipedia:Thiamine is_a: CHEBI:26948 ! thiamine is_a: CHEBI:36807 ! hydrochloride relationship: has_part CHEBI:49107 ! thiamine(2+) [Term] id: CHEBI:49107 name: thiamine(2+) namespace: chebi_ontology subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "266.120" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "266.36368" RELATED MASS [ChEBI] synonym: "3-[(4-ammonio-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium" EXACT IUPAC_NAME [IUPAC] synonym: "C12H18N4OS" RELATED FORMULA [ChEBI] synonym: "Cc1ncc(C[n+]2csc(CCO)c2C)c([NH3+])n1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1/p+1" RELATED InChI [ChEBI] synonym: "JZRWCGZRTZMZEH-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Beilstein:3627364 "Beilstein" xref: Gmelin:677220 "Gmelin" is_a: CHEBI:26948 ! thiamine relationship: is_conjugate_acid_of CHEBI:18385 ! thiamine(1+) [Term] id: CHEBI:49167 name: anti-asthmatic drug namespace: chebi_ontology def: "A drug used to treat asthma." [] subset: 3_STAR synonym: "anti-asthmatic agent" RELATED [ChEBI] synonym: "anti-asthmatic agents" RELATED [ChEBI] synonym: "anti-asthmatic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:65023 ! anti-asthmatic agent [Term] id: CHEBI:49201 name: anti-ulcer drug namespace: chebi_ontology def: "One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract." [] subset: 3_STAR synonym: "anti-ulcer agent" RELATED [ChEBI] synonym: "anti-ulcer agents" RELATED [ChEBI] synonym: "anti-ulcer drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:49302 name: 2-hydroxy monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:19626 alt_id: CHEBI:35967 subset: 3_STAR synonym: "2-hydroxy acid" RELATED [ChEBI] synonym: "2-hydroxy monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:35868 ! hydroxy monocarboxylic acid [Term] id: CHEBI:49323 name: contraceptive drug namespace: chebi_ontology def: "A chemical substance that prevents or reduces the probability of conception." [] subset: 3_STAR synonym: "contraceptive agent" RELATED [ChEBI] synonym: "contraceptive drugs" RELATED [ChEBI] is_a: CHEBI:50689 ! reproductive control drug [Term] id: CHEBI:49537 name: c-di-GMP namespace: chebi_ontology alt_id: CHEBI:47036 alt_id: CHEBI:49535 def: "A cyclic purine dinucleotide that is the 3',5'-cyclic dimer of MP." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3',5'-cyclic di-GMP" RELATED [ChEBI] synonym: "3',5'-Cyclic diguanylic acid" RELATED [KEGG_COMPOUND] synonym: "690.095" RELATED MONOISOTOPIC_MASS [ChemIDplus] synonym: "690.41108" RELATED MASS [ChEBI] synonym: "9,9'-[(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)" EXACT IUPAC_NAME [IUPAC] synonym: "bis(3',5')-cyclic diguanylic acid" RELATED [ChemIDplus] synonym: "Bis-(3',5')-cyclic diGMP" RELATED [KEGG_COMPOUND] synonym: "bis-(3'-5')-cyclic dimeric guanosine monophosphate" RELATED [ChEBI] synonym: "c-(GpGp)" RELATED [ChemIDplus] synonym: "C20H24N10O14P2" RELATED FORMULA [ChemIDplus] synonym: "cdiGMP" RELATED [KEGG_COMPOUND] synonym: "cGpGp" RELATED [ChemIDplus] synonym: "Cyclic di-3',5'-guanylate" RELATED [KEGG_COMPOUND] synonym: "cyclic di-3',5'-guanylic acid" RELATED [UniProt] synonym: "cyclic di-GMP" RELATED [ChEBI] synonym: "cyclic diguanylic acid" RELATED [ChemIDplus] synonym: "cyclic dinucleotide di-GMP" RELATED [ChEBI] synonym: "cyclic-bis(3',5')diguanylic acid" RELATED [ChemIDplus] synonym: "cyclic-bis(3'->5') dimeric GMP" RELATED [IUBMB] synonym: "guanylyl-(3'->5')-3'-guanylic acid, cyclic 3'->5'''-nucleotide" RELATED [ChemIDplus] synonym: "InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c1nc(N)[nH]c2=O" RELATED SMILES [ChEBI] synonym: "PKFDLKSEZWEFGL-MHARETSRSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:9696190 "Beilstein" xref: CAS:61093-23-0 "KEGG COMPOUND" xref: KEGG:C16463 xref: MetaCyc:C-DI-GMP xref: PMID:17646358 "Europe PMC" xref: PMID:19691499 "Europe PMC" xref: PMID:20577685 "Europe PMC" xref: PMID:21320509 "Europe PMC" xref: PMID:22021215 "Europe PMC" xref: PMID:22661686 "Europe PMC" xref: PMID:22728658 "Europe PMC" xref: PMID:22728659 "Europe PMC" xref: PMID:22728660 "Europe PMC" xref: PMID:22821967 "Europe PMC" xref: PMID:23021863 "Europe PMC" xref: PMID:23023210 "Europe PMC" xref: PMID:23202856 "Europe PMC" xref: PMID:23289502 "Europe PMC" xref: PMID:23299943 "Europe PMC" xref: Reaxys:9606190 "Reaxys" is_a: CHEBI:47037 ! cyclic purine dinucleotide is_a: CHEBI:61295 ! guanyl ribonucleotide relationship: has_role CHEBI:50846 ! immunomodulator relationship: has_role CHEBI:62488 ! signalling molecule relationship: is_conjugate_acid_of CHEBI:58805 ! c-di-GMP(2-) [Term] id: CHEBI:495505 name: dATP(3-) namespace: chebi_ontology def: "A 2'-deoxyribonucleoside triphosphate oxoanion that is the trianion of 2'-deoxyadenosine 5'-triphosphate, arising from deprotonation of three of the four triphosphate OH groups; major species at pH 7.3." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "2'-deoxy-5'-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adenosine" EXACT IUPAC_NAME [IUPAC] synonym: "487.977" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "488.15780" RELATED MASS [ChEBI] synonym: "C10H13N5O12P3" RELATED FORMULA [ChEBI] synonym: "dATP trianion" RELATED [ChEBI] synonym: "InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/p-3/t5-,6+,7+/m0/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O1" RELATED SMILES [ChEBI] synonym: "SUYVUBYJARFZHO-RRKCRQDMSA-K" RELATED InChIKey [ChEBI] xref: Gmelin:2691379 "Gmelin" is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion relationship: is_conjugate_acid_of CHEBI:61404 ! dATP(4-) relationship: is_conjugate_base_of CHEBI:16284 ! dATP [Term] id: CHEBI:49601 name: Fe2S2 iron-sulfur cluster namespace: chebi_ontology alt_id: CHEBI:21134 alt_id: CHEBI:49600 alt_id: CHEBI:64605 def: "An iron-sulfur cluster containing two iron atoms and two sulfur atoms." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "175.82000" RELATED MASS [ChEBI] synonym: "2 iron, 2 sulfur cluster" RELATED [SUBMITTER] synonym: "[2Fe-2S] cluster" RELATED [UniProt] synonym: "Fe2S2" RELATED FORMULA [ChEBI] is_a: CHEBI:30408 ! iron-sulfur cluster [Term] id: CHEBI:49637 name: hydrogen atom namespace: chebi_ontology alt_id: CHEBI:24634 alt_id: CHEBI:49636 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1.00794" RELATED MASS [ChEBI] synonym: "1.008" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "1H" RELATED [IUPAC] synonym: "[H]" RELATED SMILES [ChEBI] synonym: "H" RELATED [IUPAC] synonym: "H" RELATED FORMULA [ChEBI] synonym: "hidrogeno" RELATED [ChEBI] synonym: "hydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen" RELATED [ChEBI] synonym: "hydrogene" RELATED [ChEBI] synonym: "InChI=1S/H" RELATED InChI [ChEBI] synonym: "Wasserstoff" RELATED [ChEBI] synonym: "YZCKVEUIGOORGS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: WebElements:H is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33559 ! s-block element atom relationship: has_role CHEBI:33937 ! macronutrient [Term] id: CHEBI:49786 name: nickel(2+) namespace: chebi_ontology alt_id: CHEBI:25517 alt_id: CHEBI:49785 def: "An ion of nickel carrying a double positive charge." [] subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "57.935" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "58.69340" RELATED MASS [ChEBI] synonym: "[Ni++]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Ni/q+2" RELATED InChI [ChEBI] synonym: "Ni" RELATED FORMULA [ChEBI] synonym: "Ni(2+)" RELATED [IUPAC] synonym: "Ni(2+)" RELATED [UniProt] synonym: "Ni2+" RELATED [KEGG_COMPOUND] synonym: "NICKEL (II) ION" RELATED [PDBeChem] synonym: "nickel(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "nickel(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "nickel(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "Nickel, ion (Ni2+)" RELATED [ChemIDplus] synonym: "nickelous ion" RELATED [ChEBI] synonym: "VEQPNABPJHWNSG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:14701-22-5 "ChemIDplus" xref: Gmelin:6859 "Gmelin" xref: PDBeChem:NI xref: PMID:20456924 "Europe PMC" is_a: CHEBI:25516 ! nickel cation is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation is_a: CHEBI:88186 ! metal cation allergen [Term] id: CHEBI:49807 name: lead(2+) namespace: chebi_ontology alt_id: CHEBI:30179 alt_id: CHEBI:49804 subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "207.20000" RELATED MASS [ChEBI] synonym: "207.977" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[Pb++]" RELATED SMILES [ChEBI] synonym: "InChI=1S/Pb/q+2" RELATED InChI [ChEBI] synonym: "LEAD (II) ION" RELATED [PDBeChem] synonym: "lead(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "lead(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "lead(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "Lead, ion (Pb2+)" RELATED [ChemIDplus] synonym: "Pb" RELATED FORMULA [ChEBI] synonym: "Pb" RELATED [KEGG_COMPOUND] synonym: "Pb(2+)" RELATED [UniProt] synonym: "Pb(2+)" RELATED [IUPAC] synonym: "Pb2+" RELATED [KEGG_COMPOUND] synonym: "RVPVRDXYQKGNMQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:14280-50-3 "ChemIDplus" xref: CAS:7439-92-1 "KEGG COMPOUND" xref: Gmelin:6861 "Gmelin" xref: KEGG:C06696 xref: PDBeChem:PB is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation is_a: CHEBI:60252 ! lead cation [Term] id: CHEBI:49870 name: antimonous acid namespace: chebi_ontology alt_id: CHEBI:30296 alt_id: CHEBI:49869 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "171.912" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "172.78202" RELATED MASS [ChEBI] synonym: "[H]O[Sb](O[H])O[H]" RELATED SMILES [ChEBI] synonym: "[Sb(OH)3]" RELATED [IUPAC] synonym: "antimonous acid" EXACT IUPAC_NAME [IUPAC] synonym: "H3O3Sb" RELATED FORMULA [ChEBI] synonym: "H3SbO3" RELATED [IUPAC] synonym: "InChI=1S/3H2O.Sb/h3*1H2;/q;;;+3/p-3" RELATED InChI [ChEBI] synonym: "stiborous acid" RELATED [IUPAC] synonym: "SZOADBKOANDULT-UHFFFAOYSA-K" RELATED InChIKey [ChEBI] synonym: "trihydroxidoantimony" EXACT IUPAC_NAME [IUPAC] synonym: "TRIHYDROXYANTIMONITE(III)" RELATED [ChemIDplus] xref: DrugBank:DB02453 xref: Gmelin:558348 "Gmelin" xref: PDBeChem:SBO is_a: CHEBI:36920 ! antimony oxoacid relationship: is_conjugate_acid_of CHEBI:30297 ! antimonite [Term] id: CHEBI:49976 name: zinc dichloride namespace: chebi_ontology def: "A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "133.867" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "136.29540" RELATED MASS [ChEBI] synonym: "[Cl-].[Cl-].[Zn++]" RELATED SMILES [ChEBI] synonym: "butter of zinc" RELATED [ChemIDplus] synonym: "chlorure de zinc" RELATED [ChemIDplus] synonym: "Cl2Zn" RELATED FORMULA [ChEBI] synonym: "dichlorozinc" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI] synonym: "JIAARYAFYJHUJI-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "zinc chloride" RELATED [ChemIDplus] synonym: "zinc chloride, anhydrous" RELATED [NIST_Chemistry_WebBook] synonym: "zinc dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "zinc(2+) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "zinc(II) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Zinkchlorid" RELATED [ChemIDplus] synonym: "ZnCl2" RELATED [IUPAC] xref: CAS:7646-85-7 "NIST Chemistry WebBook" xref: Gmelin:430396 "Gmelin" xref: KEGG:D02058 xref: MolBase:1125 xref: PMID:23021350 "Europe PMC" xref: PMID:23399499 "Europe PMC" xref: PMID:23471775 "Europe PMC" xref: PMID:23514640 "Europe PMC" xref: PMID:23546181 "Europe PMC" xref: PMID:23574241 "Europe PMC" xref: PMID:23739012 "Europe PMC" xref: PMID:23761032 "Europe PMC" xref: PMID:23763136 "Europe PMC" xref: PMID:7615984 "Europe PMC" xref: PMID:9730919 "Europe PMC" xref: Wikipedia:Zinc_Chloride is_a: CHEBI:27364 ! zinc molecular entity is_a: CHEBI:36093 ! inorganic chloride relationship: has_role CHEBI:39143 ! Lewis acid relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:74783 ! astringent relationship: has_role CHEBI:86385 ! EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor [Term] id: CHEBI:50007 name: antimony coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "antimony coordination compounds" RELATED [ChEBI] synonym: "antimony coordination entities" RELATED [ChEBI] synonym: "antimony coordination entity" EXACT [ChEBI] is_a: CHEBI:36919 ! antimony molecular entity [Term] id: CHEBI:50047 name: organic amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups." [] subset: 3_STAR synonym: "organic amino compounds" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_parent_hydride CHEBI:16134 ! ammonia property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:50091 name: S-nitrosoglutathione namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "336.074" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "336.32280" RELATED MASS [ChEBI] synonym: "C10H16N4O7S" RELATED FORMULA [ChEBI] synonym: "glutathione thionitrite" RELATED [ChemIDplus] synonym: "GSNO" RELATED [ChemIDplus] synonym: "HYHSBSXUHZOYLX-WDSKDSINSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1" RELATED InChI [ChEBI] synonym: "L-gamma-glutamyl-S-nitroso-L-cysteinylglycine" EXACT IUPAC_NAME [IUPAC] synonym: "N-(N-L-gamma-glutamyl-S-nitroso-L-cysteinyl)glycine" RELATED [ChemIDplus] synonym: "N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(O)=O)C(O)=O" RELATED SMILES [ChEBI] synonym: "nitrosoglutathione" RELATED [ChemIDplus] synonym: "SNOG" RELATED [ChemIDplus] xref: Beilstein:3566211 "ChemIDplus" xref: CAS:57564-91-7 "ChemIDplus" xref: colombos:GSNO is_a: CHEBI:24337 ! glutathione derivative [Term] id: CHEBI:50102 name: N-methyl-N-nitrosourea namespace: chebi_ontology alt_id: CHEBI:25565 alt_id: CHEBI:34843 alt_id: CHEBI:50101 def: "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-(aminocarbonyl)-1-methyl-2-oxohydrazine" RELATED [NIST_Chemistry_WebBook] synonym: "1-methyl-1-nitrosourea" EXACT IUPAC_NAME [IUPAC] synonym: "1-nitroso-1-methylurea" RELATED [ChemIDplus] synonym: "103.038" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "103.08012" RELATED MASS [ChEBI] synonym: "C2H5N3O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "CN(N=O)C(N)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)" RELATED InChI [ChEBI] synonym: "Methylnitrosoharnstoff" RELATED [ChEBI] synonym: "Methylnitrosourea" RELATED [KEGG_COMPOUND] synonym: "methylnitrosouree" RELATED [ChemIDplus] synonym: "MNU" RELATED [ChemIDplus] synonym: "N-methyl-N-nitrosocarbamide" RELATED [ChemIDplus] synonym: "N-Methyl-N-nitrosoharnstoff" RELATED [ChEBI] synonym: "N-Methyl-N-nitrosourea" EXACT [KEGG_COMPOUND] synonym: "N-methyl-N-nitrosouree" RELATED [ChEBI] synonym: "N-nitroso-N-methylcarbamide" RELATED [NIST_Chemistry_WebBook] synonym: "N-Nitroso-N-methylharnstoff" RELATED [ChEBI] synonym: "N-nitroso-N-methylurea" RELATED [ChemIDplus] synonym: "N-nitroso-N-methyluree" RELATED [ChEBI] synonym: "N-nitrosomethylurea" RELATED [NIST_Chemistry_WebBook] synonym: "nitrosomethylurea" RELATED [NIST_Chemistry_WebBook] synonym: "NMH" RELATED [ChemIDplus] synonym: "NMU" RELATED [ChemIDplus] synonym: "ZRKWMRDKSOPRRS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1756040 "Beilstein" xref: CAS:684-93-5 "NIST Chemistry WebBook" xref: KEGG:C14595 xref: PMID:11479921 "Europe PMC" xref: PMID:12767522 "Europe PMC" xref: PMID:15990165 "Europe PMC" xref: PMID:19181008 "Europe PMC" xref: PMID:24441676 "Europe PMC" xref: PMID:6243984 "Europe PMC" xref: PMID:8098217 "Europe PMC" xref: PMID:8603364 "Europe PMC" xref: Wikipedia:N-Methyl-N-nitrosourea is_a: CHEBI:76551 ! N-nitrosoureas relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50905 ! teratogenic agent [Term] id: CHEBI:50103 name: excitatory amino acid agonist namespace: chebi_ontology def: "An agent that binds to and activates excitatory amino acid receptors." [] subset: 3_STAR synonym: "excitatory amino acid agonists" RELATED [ChEBI] synonym: "excitatory amino acid receptor agonist" RELATED [ChEBI] synonym: "excitatory amino acid receptor agonists" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:50112 name: sex hormone namespace: chebi_ontology def: "Any hormone that is responsible for controlling sexual characteristics and reproductive function." [] subset: 3_STAR synonym: "Geschlechtshormon" RELATED [ChEBI] synonym: "Geschlechtshormone" RELATED [ChEBI] synonym: "hormone sexuelle" RELATED [ChEBI] synonym: "hormones sexuelles" RELATED [ChEBI] synonym: "sex hormones" RELATED [ChEBI] synonym: "Sexualhormon" RELATED [ChEBI] synonym: "Sexualhormone" RELATED [ChEBI] is_a: CHEBI:24621 ! hormone [Term] id: CHEBI:50114 name: estrogen namespace: chebi_ontology def: "A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens." [] subset: 3_STAR synonym: "Estrogene" RELATED [ChEBI] synonym: "estrogene" RELATED [ChEBI] synonym: "estrogenes" RELATED [ChEBI] synonym: "estrogenes Hormon" RELATED [ChEBI] synonym: "estrogeno" RELATED [ChEBI] synonym: "estrogenos" RELATED [ChEBI] synonym: "estrogens" RELATED [ChEBI] synonym: "Oestrogen" RELATED [ChEBI] synonym: "oestrogen" RELATED [ChEBI] synonym: "Oestrogene" RELATED [ChEBI] synonym: "oestrogene" RELATED [ChEBI] synonym: "oestrogenes" RELATED [ChEBI] synonym: "oestrogens" RELATED [ChEBI] xref: Wikipedia:Estrogen is_a: CHEBI:50112 ! sex hormone [Term] id: CHEBI:50160 name: steroid acid anion namespace: chebi_ontology def: "Any anion formed by loss of a proton from a steroid acid." [] subset: 3_STAR synonym: "steroid acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:50176 name: keratolytic drug namespace: chebi_ontology def: "A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases." [] subset: 3_STAR synonym: "desquamating agent" RELATED [ChEBI] synonym: "keratolytic agent" RELATED [ChEBI] synonym: "keratolytic drugs" RELATED [ChEBI] synonym: "skin-peeling agent" RELATED [ChEBI] is_a: CHEBI:50177 ! dermatologic drug [Term] id: CHEBI:50177 name: dermatologic drug namespace: chebi_ontology def: "A drug used to treat or prevent skin disorders or for the routine care of skin." [] subset: 3_STAR synonym: "dermatologic agent" RELATED [ChEBI] synonym: "dermatologic drugs" RELATED [ChEBI] synonym: "dermatological agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50247 name: antidote namespace: chebi_ontology def: "Any protective agent counteracting or neutralizing the action of poisons." [] subset: 3_STAR synonym: "antidotes" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:50248 name: hematologic agent namespace: chebi_ontology def: "Drug that acts on blood and blood-forming organs and those that affect the hemostatic system." [] subset: 3_STAR synonym: "hematologic agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50249 name: anticoagulant namespace: chebi_ontology def: "An agent that prevents blood clotting." [] subset: 3_STAR synonym: "anticoagulante" RELATED [ChEBI] synonym: "anticoagulants" RELATED [ChEBI] is_a: CHEBI:50248 ! hematologic agent [Term] id: CHEBI:50263 name: 2-hydroxydicarboxylic acid namespace: chebi_ontology alt_id: CHEBI:1154 alt_id: CHEBI:19636 def: "Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group." [] subset: 3_STAR synonym: "2-Hydroxydicarboxylic acid" EXACT [KEGG_COMPOUND] synonym: "2-hydroxydicarboxylic acids" RELATED [ChEBI] synonym: "C3H4O5(CH2)n" RELATED FORMULA [KEGG_COMPOUND] xref: KEGG:C03668 is_a: CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:50266 name: prodrug namespace: chebi_ontology def: "A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug." [] subset: 3_STAR synonym: "Prodrugs" RELATED [ChEBI] xref: PMID:23993918 "Europe PMC" xref: PMID:23998799 "Europe PMC" xref: PMID:24329110 "Europe PMC" xref: PMID:24628402 "Europe PMC" xref: PMID:24709544 "Europe PMC" xref: PMID:25144792 "Europe PMC" xref: PMID:25157234 "Europe PMC" xref: PMID:25269430 "Europe PMC" xref: PMID:25391982 "Europe PMC" xref: PMID:25591121 "Europe PMC" xref: PMID:25620096 "Europe PMC" xref: PMID:25795057 "Europe PMC" xref: PMID:26028253 "Europe PMC" xref: PMID:26184144 "Europe PMC" xref: PMID:28070577 "Europe PMC" xref: PMID:28215138 "Europe PMC" xref: PMID:28219047 "Europe PMC" xref: PMID:28259775 "Europe PMC" xref: PMID:28319647 "Europe PMC" xref: PMID:28329729 "Europe PMC" xref: PMID:28334528 "Europe PMC" xref: Wikipedia:Prodrug is_a: CHEBI:136859 ! pro-agent is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50267 name: protective agent namespace: chebi_ontology def: "Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent." [] subset: 3_STAR synonym: "chemoprotectant" RELATED [ChEBI] synonym: "chemoprotectants" RELATED [ChEBI] synonym: "chemoprotective agent" RELATED [ChEBI] synonym: "chemoprotective agents" RELATED [ChEBI] synonym: "protective agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50276 name: EC 5.99.1.2 (DNA topoisomerase) inhibitor namespace: chebi_ontology def: "A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA." [] subset: 3_STAR synonym: "DNA topoisomerase inhibitor" RELATED [ChEBI] synonym: "DNA topoisomerase inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.2 (DNA topoisomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.2 (topoisomerase I) inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.2 (topoisomerase I) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.2 inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.2 inhibitors" RELATED [ChEBI] synonym: "topoisomerase I (EC 5.99.1.2) inhibitor" RELATED [ChEBI] synonym: "topoisomerase I (EC 5.99.1.2) inhibitors" RELATED [ChEBI] synonym: "topoisomerase I inhibitor" RELATED [ChEBI] synonym: "topoisomerase I inhibitors" RELATED [ChEBI] synonym: "type I DNA topoisomerase inhibitor" RELATED [ChEBI] synonym: "type I DNA topoisomerase inhibitors" RELATED [ChEBI] is_a: CHEBI:70727 ! topoisomerase inhibitor [Term] id: CHEBI:50312 name: onium compound namespace: chebi_ontology subset: 1_STAR synonym: "onium compound" EXACT [ChEBI] synonym: "onium compounds" EXACT IUPAC_NAME [IUPAC] synonym: "onium compounds" RELATED [ChEBI] is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:50313 name: onium cation namespace: chebi_ontology def: "Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families." [] subset: 3_STAR synonym: "onium cations" EXACT IUPAC_NAME [IUPAC] synonym: "onium cations" RELATED [ChEBI] synonym: "onium ion" RELATED [ChEBI] synonym: "onium ions" RELATED [ChEBI] is_a: CHEBI:50312 ! onium compound [Term] id: CHEBI:50315 name: chloronium namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "36.985" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "37.46858" RELATED MASS [ChEBI] synonym: "[ClH2](+)" RELATED [IUPAC] synonym: "[H][Cl+][H]" RELATED SMILES [ChEBI] synonym: "chloranium" EXACT IUPAC_NAME [IUPAC] synonym: "chloronium" EXACT IUPAC_NAME [IUPAC] synonym: "ClH2" RELATED FORMULA [ChEBI] synonym: "H2Cl(+)" RELATED [IUPAC] synonym: "IGJWHVUMEJASKV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/ClH2/h1H2/q+1" RELATED InChI [ChEBI] xref: Gmelin:331 "Gmelin" is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:17883 ! hydrogen chloride [Term] id: CHEBI:50316 name: bromonium namespace: chebi_ontology subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "80.934" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "81.91988" RELATED MASS [ChEBI] synonym: "[BrH2](+)" RELATED [ChEBI] synonym: "[H][Br+][H]" RELATED SMILES [ChEBI] synonym: "BrH2" RELATED FORMULA [ChEBI] synonym: "bromanium" EXACT IUPAC_NAME [IUPAC] synonym: "bromonium" EXACT IUPAC_NAME [IUPAC] synonym: "H2Br(+)" RELATED [IUPAC] synonym: "InChI=1S/BrH2/h1H2/q+1" RELATED InChI [ChEBI] synonym: "IWNNBBVLEFUBNE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Gmelin:719134 "Gmelin" is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:47266 ! hydrogen bromide [Term] id: CHEBI:50325 name: proteinogenic amino-acid side-chain group namespace: chebi_ontology def: "A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid." [] subset: 3_STAR synonym: "canonical amino-acid side-chain" RELATED [ChEBI] synonym: "canonical amino-acid side-chains" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chain" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chain groups" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chains" RELATED [ChEBI] is_a: CHEBI:33249 ! organyl group [Term] id: CHEBI:50326 name: sulfanylmethyl group namespace: chebi_ontology subset: 3_STAR synonym: "-CH2-SH" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "46.996" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "47.10052" RELATED MASS [ChEBI] synonym: "CH3S" RELATED FORMULA [ChEBI] synonym: "cysteine side-chain" RELATED [ChEBI] synonym: "HS-CH2-" RELATED [IUPAC] synonym: "sulfanylmethyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group [Term] id: CHEBI:50330 name: 2-amino-2-oxoethyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-amino-2-oxoethyl" EXACT IUPAC_NAME [IUPAC] synonym: "58.029" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "58.05930" RELATED MASS [ChEBI] synonym: "asparagine side-chain" RELATED [ChEBI] synonym: "C2H4NO" RELATED FORMULA [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group [Term] id: CHEBI:50331 name: 3-amino-3-oxopropyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3-amino-3-oxopropyl" EXACT IUPAC_NAME [IUPAC] synonym: "72.045" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "72.08588" RELATED MASS [ChEBI] synonym: "C3H6NO" RELATED FORMULA [ChEBI] synonym: "glutamine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group [Term] id: CHEBI:50336 name: 4-hydroxybenzyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "107.050" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "107.12988" RELATED MASS [ChEBI] synonym: "4-hydroxybenzyl" EXACT IUPAC_NAME [IUPAC] synonym: "C7H7O" RELATED FORMULA [ChEBI] synonym: "tyrosine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group [Term] id: CHEBI:50337 name: 1H-indol-3-ylmethyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "130.066" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "130.16656" RELATED MASS [ChEBI] synonym: "1H-indol-3-ylmethyl" EXACT IUPAC_NAME [IUPAC] synonym: "C9H8N" RELATED FORMULA [ChEBI] synonym: "tryptophan side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group [Term] id: CHEBI:50339 name: 4-aminobutyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "4-aminobutyl" EXACT IUPAC_NAME [IUPAC] synonym: "72.081" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "72.12894" RELATED MASS [ChEBI] synonym: "C4H10N" RELATED FORMULA [ChEBI] synonym: "lysine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:43799 ! butan-1-amine [Term] id: CHEBI:50340 name: 3-carbamimidamidopropyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "100.087" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "100.14242" RELATED MASS [ChEBI] synonym: "3-(carbamimidoylamino)propyl" RELATED [IUPAC] synonym: "3-carbamimidamidopropyl" EXACT IUPAC_NAME [IUPAC] synonym: "3-guanidinopropyl" RELATED [ChEBI] synonym: "arginine side-chain" RELATED [ChEBI] synonym: "C4H10N3" RELATED FORMULA [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group [Term] id: CHEBI:50341 name: 1-hydroxyethyl group namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-hydroxyethyl" EXACT IUPAC_NAME [IUPAC] synonym: "45.034" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "45.06050" RELATED MASS [ChEBI] synonym: "C2H5O" RELATED FORMULA [ChEBI] synonym: "threonine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group [Term] id: CHEBI:50416 name: D-glucose 3-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "3-O-phosphono-D-glucose" RELATED [IUPAC] synonym: "C6H13O9P" RELATED FORMULA [ChEBI] synonym: "D-glucose 3-(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:21006 ! D-glucose monophosphate [Term] id: CHEBI:5044 name: ferrioxamine B namespace: chebi_ontology def: "A Fe(III)-complexed hydroxamate siderophore comprising equimolar amounts of iron(3+) and desferrioxamine B(3-)" [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "613.265" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "613.50500" RELATED MASS [ChEBI] synonym: "[N-(5-aminopentyl)-N-(hydroxy-kappaO)-N'-{5-[(hydroxy-kappaO){4-[(5-{(hydroxy-kappaO)[1-(oxo-kappaO)ethyl]amino}pentyl)amino]-4-oxo-1-(oxo-kappaO)butyl}amino]pentyl}succinamidato(3-)-kappaO(1)]iron" EXACT IUPAC_NAME [IUPAC] synonym: "C25H45FeN6O8" RELATED FORMULA [ChEBI] synonym: "CC(=O)N1CCCCCNC(=O)CCC(=O)N2CCCCCNC(=O)CCC(=O)N(CCCCCN)O[Fe](O1)O2" RELATED SMILES [ChEBI] synonym: "Desferal-iron(III)" RELATED [KEGG_COMPOUND] synonym: "Ferrioxamine" RELATED [KEGG_COMPOUND] synonym: "Ferroxamine" RELATED [KEGG_COMPOUND] synonym: "iron(3+) [acetyl(27-amino-11,22-dioxido-7,10,18,21-tetraoxo-6,11,17,22-tetraazaheptacos-1-yl)amino]oxidanide" EXACT IUPAC_NAME [IUPAC] xref: CAS:14836-73-8 "KEGG COMPOUND" xref: KEGG:C07597 xref: PDBeChem:0UE xref: PMID:24606332 "Europe PMC" xref: Reaxys:16078693 "Reaxys" is_a: CHEBI:84688 ! Fe(III)-complexed hydroxamate siderophore relationship: has_part CHEBI:29034 ! iron(3+) relationship: has_part CHEBI:84700 ! desferrioxamine B(3-) [Term] id: CHEBI:50441 name: N-substituted diamine namespace: chebi_ontology subset: 1_STAR synonym: "N-substituted diamine" EXACT [ChEBI] synonym: "N-substituted diamines" RELATED [ChEBI] is_a: CHEBI:23666 ! diamine [Term] id: CHEBI:50453 name: desferrioxamine namespace: chebi_ontology subset: 1_STAR synonym: "desferrioxamines" RELATED [ChEBI] is_a: CHEBI:24650 ! hydroxamic acid [Term] id: CHEBI:50454 name: acyclic desferrioxamine namespace: chebi_ontology subset: 1_STAR synonym: "acyclic desferrioxamines" RELATED [ChEBI] is_a: CHEBI:50453 ! desferrioxamine [Term] id: CHEBI:50471 name: primary arylamine namespace: chebi_ontology def: "A primary amine formally derived from ammonia by replacing one hydrogen atom by an aryl group." [] subset: 3_STAR synonym: "primary arylamine" EXACT [ChEBI] is_a: CHEBI:32877 ! primary amine is_a: CHEBI:33860 ! aromatic amine [Term] id: CHEBI:50505 name: sweetening agent namespace: chebi_ontology def: "Substance that sweeten food, beverages, medications, etc." [] subset: 3_STAR synonym: "sweetener" RELATED [ChEBI] synonym: "sweeteners" RELATED [ChEBI] is_a: CHEBI:35617 ! flavouring agent [Term] id: CHEBI:50511 name: bipyridines namespace: chebi_ontology def: "Compounds containing a bipyridine group." [] subset: 3_STAR synonym: "bipyridyls" RELATED [ChEBI] is_a: CHEBI:36820 ! ring assembly is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:64459 ! biaryl [Term] id: CHEBI:50525 name: phenolate anion namespace: chebi_ontology def: "An organic anion arising from deprotonation of the OH function of a phenol compound." [] subset: 3_STAR synonym: "phenolate anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:50562 name: tartrate salt namespace: chebi_ontology def: "A salt of the organic compound tartaric acid." [] subset: 3_STAR synonym: "tartrate" RELATED [ChEBI] synonym: "tartrate salts" RELATED [ChEBI] synonym: "tartrates" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt [Term] id: CHEBI:50566 name: nitric oxide donor namespace: chebi_ontology alt_id: CHEBI:77704 def: "An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide." [] subset: 3_STAR synonym: "nitric oxide donors" RELATED [ChEBI] synonym: "nitric oxide generators" RELATED [ChEBI] synonym: "nitric oxide releasing agent" RELATED [ChEBI] synonym: "nitric oxide releasing agents" RELATED [ChEBI] synonym: "NO donor" RELATED [ChEBI] synonym: "NO donors" RELATED [ChEBI] synonym: "NO generator" RELATED [ChEBI] synonym: "NO generators" RELATED [ChEBI] synonym: "NO releasing agent" RELATED [ChEBI] synonym: "NO releasing agents" RELATED [ChEBI] is_a: CHEBI:17891 ! donor [Term] id: CHEBI:50584 name: alkyl alcohol namespace: chebi_ontology alt_id: CHEBI:22937 alt_id: CHEBI:50581 def: "An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position." [] subset: 3_STAR synonym: "alkyl alcohols" RELATED [ChEBI] synonym: "hydroxyalkane" RELATED [ChEBI] synonym: "hydroxyalkanes" RELATED [ChEBI] is_a: CHEBI:2571 ! aliphatic alcohol [Term] id: CHEBI:50630 name: cyclooxygenase 1 inhibitor namespace: chebi_ontology def: "A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1." [] subset: 3_STAR synonym: "COX-1 inhibitor" RELATED [ChEBI] synonym: "COX-1 inhibitors" RELATED [ChEBI] synonym: "cyclo-oxygenase 1 inhibitor" RELATED [ChEBI] synonym: "cyclo-oxygenase 1 inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase 1 inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase-1 inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase-1 inhibitors" RELATED [ChEBI] synonym: "prostaglandin G/H synthase 1 inhibitor" RELATED [ChEBI] synonym: "prostaglandin G/H synthase 1 inhibitors" RELATED [ChEBI] synonym: "prostaglandin H2 synthase 1 inhibitor" RELATED [ChEBI] synonym: "prostaglandin H2 synthase 1 inhibitors" RELATED [ChEBI] synonym: "prostaglandin-endoperoxide synthase 1 inhibitor" RELATED [ChEBI] synonym: "prostaglandin-endoperoxide synthase 1 inhibitors" RELATED [ChEBI] synonym: "PTGS1 inhibitor" RELATED [ChEBI] synonym: "PTGS1 inhibitors" RELATED [ChEBI] xref: Wikipedia:PTGS1 is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor [Term] id: CHEBI:50658 name: ampicillin(1-) namespace: chebi_ontology subset: 3_STAR synonym: "(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "348.102" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "348.39794" RELATED MASS [ChEBI] synonym: "6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "ampicillinate" RELATED [ChEBI] synonym: "AVKUERGKIZMTKX-NJBDSQKTSA-M" RELATED InChIKey [ChEBI] synonym: "C16H18N3O4S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p-1/t9-,10-,11+,14-/m1/s1" RELATED InChI [ChEBI] is_a: CHEBI:51356 ! penicillinate anion relationship: is_conjugate_base_of CHEBI:28971 ! ampicillin [Term] id: CHEBI:50674 name: chitobioses namespace: chebi_ontology def: "A family of compounds derived from chitin and based on the structure of D-glucosaminyl-(1->4)-D-glucosamine." [] subset: 3_STAR synonym: "2-amino-4-O-(2-amino-2-deoxy-beta-D-glucosyl)-2-deoxy-D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "C12H24N2O9" RELATED FORMULA [ChEBI] is_a: CHEBI:22480 ! amino disaccharide [Term] id: CHEBI:50675 name: beta-D-glucosaminyl-(1->4)-D-glucosamine namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-amino-4-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "340.148" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "340.32704" RELATED MASS [ChEBI] synonym: "C12H24N2O9" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4-,5-,6-,7-,8-,9-,10-,11?,12+/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "QLTSDROPCWIKKY-ZMYKSUFESA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1654149 "Beilstein" is_a: CHEBI:50674 ! chitobioses [Term] id: CHEBI:50684 name: cross-linking reagent namespace: chebi_ontology def: "A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified." [] subset: 3_STAR synonym: "cross-linking reagents" RELATED [ChEBI] is_a: CHEBI:33893 ! reagent [Term] id: CHEBI:50689 name: reproductive control drug namespace: chebi_ontology def: "A substance used either in the prevention or facilitation of pregnancy." [] subset: 3_STAR synonym: "reproductive control agent" RELATED [ChEBI] synonym: "reproductive control drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50699 name: oligosaccharide namespace: chebi_ontology alt_id: CHEBI:25679 alt_id: CHEBI:35319 alt_id: CHEBI:7758 def: "A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues." [] subset: 3_STAR synonym: "an oligosaccharide" RELATED [UniProt] synonym: "O-glycosylglycoside" RELATED [ChEBI] synonym: "O-glycosylglycosides" RELATED [ChEBI] synonym: "oligosacarido" RELATED [ChEBI] synonym: "oligosacaridos" RELATED [IUPAC] synonym: "Oligosaccharide" EXACT [KEGG_COMPOUND] synonym: "oligosaccharides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00930 is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:50733 name: nutraceutical namespace: chebi_ontology def: "A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance." [] subset: 3_STAR synonym: "Dietary Supplement" RELATED [ChEBI] synonym: "Food Supplementation" RELATED [ChEBI] synonym: "Nutritional supplement" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50745 name: progestogen namespace: chebi_ontology def: "A compound that interacts with progesterone receptors in target tissues to bring about effects similar to those of progesterone." [] subset: 3_STAR synonym: "gestagen" RELATED [ChEBI] synonym: "gestagens" RELATED [ChEBI] synonym: "progestagen" RELATED [ChEBI] synonym: "progestagens" RELATED [ChEBI] synonym: "progestogens" RELATED [ChEBI] is_a: CHEBI:50112 ! sex hormone [Term] id: CHEBI:50750 name: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor namespace: chebi_ontology alt_id: CHEBI:132229 alt_id: CHEBI:50234 def: "A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands." [] subset: 3_STAR synonym: "DNA gyrase inhibitor" RELATED [ChEBI] synonym: "DNA gyrase inhibitors" RELATED [ChEBI] synonym: "DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitor" RELATED [ChEBI] synonym: "DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitors" RELATED [ChEBI] synonym: "DNA topoisomerase (ATP-hydrolysing) inhibitor" RELATED [ChEBI] synonym: "DNA topoisomerase (ATP-hydrolysing) inhibitors" RELATED [ChEBI] synonym: "DNA topoisomerase II inhibitor" RELATED [ChEBI] synonym: "DNA topoisomerase II inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.3 inhibitors" RELATED [ChEBI] synonym: "inhibitor of type II topoisomerase" RELATED [ChEBI] synonym: "inhibitors of type II topoisomerase" RELATED [ChEBI] synonym: "topoisomerase II inhibitor" RELATED [ChEBI] synonym: "topoisomerase II inhibitors" RELATED [ChEBI] synonym: "topoisomerase-II inhibitor" RELATED [ChEBI] synonym: "topoisomerase-II inhibitors" RELATED [ChEBI] synonym: "type II DNA topoisomerase inhibitor" RELATED [ChEBI] synonym: "type II DNA topoisomerase inhibitors" RELATED [ChEBI] is_a: CHEBI:70727 ! topoisomerase inhibitor [Term] id: CHEBI:50795 name: nanostructure namespace: chebi_ontology def: "A nanometre sized object." [] subset: 3_STAR synonym: "nanoestructura" RELATED [ChEBI] is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:50803 name: nanoparticle namespace: chebi_ontology def: "A nanosized spherical or capsule-shaped structure." [] subset: 3_STAR synonym: "nanoparticles" RELATED [ChEBI] synonym: "nanoparticula" RELATED [ChEBI] synonym: "nanoparticule" RELATED [ChEBI] synonym: "Nanoteilchen" RELATED [ChEBI] synonym: "NP" RELATED [ChEBI] is_a: CHEBI:50795 ! nanostructure [Term] id: CHEBI:50846 name: immunomodulator namespace: chebi_ontology def: "Biologically active substance whose activity affects or plays a role in the functioning of the immune system." [] subset: 3_STAR synonym: "Biomodulator" RELATED [ChEBI] synonym: "Immune factor" RELATED [ChEBI] synonym: "Immunologic factor" RELATED [ChEBI] synonym: "Immunological factor" RELATED [ChEBI] synonym: "immunomodulators" RELATED [ChEBI] xref: Wikipedia:Immunotherapy is_a: CHEBI:23888 ! drug is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:50847 name: immunological adjuvant namespace: chebi_ontology def: "A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity." [] subset: 3_STAR synonym: "Immunoactivator" RELATED [ChEBI] synonym: "Immunoadjuvant" RELATED [ChEBI] synonym: "Immunologic adjuvant" RELATED [ChEBI] synonym: "Immunopotentiator" RELATED [ChEBI] synonym: "Immunostimulant" RELATED [ChEBI] xref: Wikipedia:Immunologic_adjuvant is_a: CHEBI:50846 ! immunomodulator is_a: CHEBI:60809 ! adjuvant [Term] id: CHEBI:50857 name: anti-allergic agent namespace: chebi_ontology def: "A drug used to treat allergic reactions." [] subset: 3_STAR synonym: "anti-allergic agents" RELATED [ChEBI] synonym: "anti-allergic drug" RELATED [ChEBI] synonym: "anti-allergic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50858 name: corticosteroid namespace: chebi_ontology def: "A natural or synthetic analogue of the hormones secreted by the adrenal gland." [] subset: 3_STAR synonym: "corticoides" RELATED [ChEBI] synonym: "corticosteroides" RELATED [ChEBI] synonym: "corticosteroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:50860 name: organic molecular entity namespace: chebi_ontology alt_id: CHEBI:25700 alt_id: CHEBI:33244 def: "Any molecular entity that contains carbon." [] subset: 3_STAR synonym: "organic compounds" RELATED [ChEBI] synonym: "organic entity" RELATED [ChEBI] synonym: "organic molecular entities" RELATED [ChEBI] is_a: CHEBI:33582 ! carbon group molecular entity relationship: has_part CHEBI:27594 ! carbon atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:50893 name: azaarene namespace: chebi_ontology subset: 3_STAR synonym: "azaarenes" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:50902 name: genotoxin namespace: chebi_ontology def: "A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells." [] subset: 3_STAR synonym: "genotoxic agent" RELATED [ChEBI] synonym: "genotoxic agents" RELATED [ChEBI] synonym: "genotoxins" RELATED [ChEBI] xref: Wikipedia:Genotoxicity is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50903 name: carcinogenic agent namespace: chebi_ontology def: "A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities." [] subset: 3_STAR synonym: "agente carcinogeno" RELATED [ChEBI] synonym: "cancerigene" RELATED [ChEBI] synonym: "cancerogene" RELATED [ChEBI] synonym: "carcinogen" RELATED [ChEBI] synonym: "carcinogene" RELATED [ChEBI] synonym: "carcinogenic agents" RELATED [ChEBI] synonym: "carcinogeno" RELATED [ChEBI] synonym: "carcinogens" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50904 name: allergen namespace: chebi_ontology def: "A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy." [] subset: 3_STAR synonym: "alergeno" RELATED [ChEBI] synonym: "allergene" RELATED [ChEBI] synonym: "allergenic agent" RELATED [ChEBI] xref: Wikipedia:Allergen is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50905 name: teratogenic agent namespace: chebi_ontology def: "A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect." [] subset: 3_STAR synonym: "agent teratogene" RELATED [ChEBI] synonym: "teratogen" RELATED [ChEBI] synonym: "teratogeno" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50906 name: role namespace: chebi_ontology def: "A role is particular behaviour which a material entity may exhibit." [] subset: 3_STAR is_a: BFO:0000017 ! realizable entity [Term] id: CHEBI:50908 name: hepatotoxic agent namespace: chebi_ontology def: "A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals." [] subset: 3_STAR synonym: "agente hepatotoxico" RELATED [ChEBI] synonym: "hepatotoxicant" RELATED [ChEBI] synonym: "hepatoxic agent" RELATED [ChEBI] synonym: "hepatoxicant" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50910 name: neurotoxin namespace: chebi_ontology alt_id: CHEBI:50911 def: "A poison that interferes with the functions of the nervous system." [] subset: 3_STAR synonym: "agente neurotoxico" RELATED [ChEBI] synonym: "nerve poison" RELATED [ChEBI] synonym: "nerve poisons" RELATED [ChEBI] synonym: "neurotoxic agent" RELATED [ChEBI] synonym: "neurotoxic agents" RELATED [ChEBI] synonym: "neurotoxicant" RELATED [ChEBI] synonym: "neurotoxins" RELATED [ChEBI] xref: Wikipedia:Neurotoxin is_a: CHEBI:52209 ! aetiopathogenetic role is_a: CHEBI:64909 ! poison [Term] id: CHEBI:50916 name: lipid kinase inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of lipid kinases." [] subset: 3_STAR synonym: "lipid kinase inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:50919 name: antiemetic namespace: chebi_ontology def: "A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors." [] subset: 3_STAR synonym: "anti-emetic" RELATED [ChEBI] synonym: "anti-emetics" RELATED [ChEBI] synonym: "antiemetico" RELATED [ChEBI] synonym: "antiemetics" RELATED [ChEBI] xref: Wikipedia:Antiemetic is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50926 name: angiogenesis modulating agent namespace: chebi_ontology def: "An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents." [] subset: 3_STAR is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50994 name: primary amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing one hydrogen atom by an organyl group." [] subset: 3_STAR synonym: "primary amino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:50995 name: secondary amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups." [] subset: 3_STAR synonym: "secondary amino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:50996 name: tertiary amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups." [] subset: 3_STAR synonym: "tertiary amino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:51026 name: macrocycle namespace: chebi_ontology def: "A cyclic compound containing nine or more atoms as part of the cyclic system." [] subset: 3_STAR synonym: "macrocycle" EXACT IUPAC_NAME [IUPAC] synonym: "macrocycles" RELATED [ChEBI] synonym: "Makrocyclen" RELATED [ChEBI] synonym: "makrocyclische Verbindungen" RELATED [ChEBI] synonym: "Makrozyklen" RELATED [ChEBI] synonym: "makrozyklische Verbindungen" RELATED [ChEBI] xref: Wikipedia:Macrocycle is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51050 name: titanium dioxide nanoparticle namespace: chebi_ontology def: "A nanoparticle consisting of titanium dioxide." [] subset: 3_STAR synonym: "O2Ti" RELATED FORMULA [ChEBI] synonym: "TiO2 nanoparticle" RELATED [ChEBI] xref: colombos:NANOPARTICLES.TiO2 is_a: CHEBI:134441 ! titanium oxide nanoparticle is_a: CHEBI:32234 ! titanium dioxide [Term] id: CHEBI:51057 name: 3-phenylpropionate namespace: chebi_ontology alt_id: CHEBI:20186 alt_id: CHEBI:20187 def: "A monocarboxylic acid anion that is the conjugate base of 3-phenylpropionic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "149.060" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "149.16656" RELATED MASS [ChEBI] synonym: "3-phenyl propionate" RELATED [UM-BBD] synonym: "3-phenylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "3-phenylpropanoate" RELATED [UniProt] synonym: "[O-]C(=O)CCc1ccccc1" RELATED SMILES [ChEBI] synonym: "C9H9O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/p-1" RELATED InChI [ChEBI] synonym: "XMIIGOLPHOKFCH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:4670367 "Beilstein" xref: Gmelin:328656 "Gmelin" xref: HMDB:HMDB00764 xref: MetaCyc:3-PHENYLPROPIONATE xref: Reaxys:4670367 "Reaxys" xref: UM-BBD_compID:c0422 "UM-BBD" is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28631 ! 3-phenylpropionic acid [Term] id: CHEBI:51060 name: hormone agonist namespace: chebi_ontology def: "A chemical substance which binds to specific hormone receptors activating the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites." [] subset: 3_STAR is_a: CHEBI:48705 ! agonist is_a: CHEBI:51061 ! hormone receptor modulator [Term] id: CHEBI:51061 name: hormone receptor modulator namespace: chebi_ontology def: "A drug that modulates the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites." [] subset: 3_STAR synonym: "hormone receptor modulators" RELATED [ChEBI] is_a: CHEBI:90710 ! receptor modulator [Term] id: CHEBI:51069 name: organic halide salt namespace: chebi_ontology subset: 3_STAR synonym: "organic halide salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt [Term] id: CHEBI:51082 name: nitrate salt namespace: chebi_ontology subset: 1_STAR synonym: "nitrate salts" RELATED [ChEBI] is_a: CHEBI:24866 ! salt relationship: has_part CHEBI:17632 ! nitrate [Term] id: CHEBI:51084 name: inorganic nitrate salt namespace: chebi_ontology subset: 3_STAR synonym: "inorganic nitrate salts" RELATED [ChEBI] synonym: "inorganic nitrates" RELATED [ChEBI] is_a: CHEBI:51082 ! nitrate salt [Term] id: CHEBI:51086 name: chemical role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof within a chemical context." [] subset: 3_STAR is_a: CHEBI:50906 ! role [Term] id: CHEBI:51121 name: fluorescent dye namespace: chebi_ontology subset: 3_STAR synonym: "fluorescent dyes" RELATED [ChEBI] is_a: CHEBI:37958 ! dye [Term] id: CHEBI:51143 name: nitrogen molecular entity namespace: chebi_ontology alt_id: CHEBI:25556 alt_id: CHEBI:7594 subset: 3_STAR synonym: "nitrogen compounds" RELATED [ChEBI] synonym: "nitrogen molecular entities" RELATED [ChEBI] synonym: "Nitrogenous compounds" RELATED [KEGG_COMPOUND] xref: KEGG:C06061 is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:25555 ! nitrogen atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51144 name: nitrogen group namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen group" EXACT [ChEBI] synonym: "nitrogen groups" RELATED [ChEBI] synonym: "nitrogen-containing group" RELATED [ChEBI] synonym: "nitrogenous group" RELATED [ChEBI] is_a: CHEBI:24433 ! group [Term] id: CHEBI:51151 name: dipolar compound namespace: chebi_ontology def: "An organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case." [] subset: 3_STAR synonym: "dipolar compounds" RELATED [ChEBI] is_a: CHEBI:72695 ! organic molecule [Term] id: CHEBI:51208 name: mecillinam namespace: chebi_ontology subset: 3_STAR synonym: "(2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "325.146" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "325.42754" RELATED MASS [ChEBI] synonym: "6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])N1CCCCCC1" RELATED SMILES [ChEBI] synonym: "amdinocillin" RELATED [ChemIDplus] synonym: "BWWVAEOLVKTZFQ-NTZNESFSSA-N" RELATED InChIKey [ChEBI] synonym: "C15H23N3O3S" RELATED FORMULA [ChEBI] synonym: "Coactin" RELATED BRAND_NAME [DrugBank] synonym: "InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1" RELATED InChI [ChEBI] synonym: "mecilinamo" RELATED INN [ChemIDplus] synonym: "mecillinam" RELATED INN [ChemIDplus] synonym: "mecillinamum" RELATED INN [ChemIDplus] synonym: "penicillin HX" RELATED [ChemIDplus] xref: Beilstein:1223657 "Beilstein" xref: CAS:32887-01-7 "ChemIDplus" xref: colombos:MECILLINAM xref: DrugBank:DB01163 xref: LINCS:LSM-5528 xref: Patent:DE2055531 xref: Patent:US3957764 is_a: CHEBI:17334 ! penicillin relationship: has_role CHEBI:36047 ! antibacterial drug [Term] id: CHEBI:51214 name: diamminedichloroplatinum namespace: chebi_ontology subset: 3_STAR synonym: "Cl2H6N2Pt" RELATED FORMULA [ChEBI] synonym: "diammine(dichloro)platinum" RELATED [ChEBI] synonym: "diamminedichloridoplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "diamminedichloridoplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "diamminedichloroplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "diamminedichloroplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "diammineplatinum dichloride" RELATED [NIST_Chemistry_WebBook] xref: CAS:14913-33-8 "NIST Chemistry WebBook" xref: Gmelin:101110 "Gmelin" is_a: CHEBI:33862 ! platinum coordination entity [Term] id: CHEBI:51217 name: fluorochrome namespace: chebi_ontology def: "A fluorescent dye used to stain biological specimens." [] subset: 3_STAR synonym: "fluorochromes" RELATED [ChEBI] is_a: CHEBI:51121 ! fluorescent dye [Term] id: CHEBI:51245 name: phenanthridines namespace: chebi_ontology def: "Any dibenzopyridine based on the skeleton of phenanthridine and its substituted derivatives thereof." [] subset: 3_STAR is_a: CHEBI:39206 ! dibenzopyridine [Term] id: CHEBI:51256 name: amoxicillin(1-) namespace: chebi_ontology subset: 3_STAR synonym: "(2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "364.097" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "364.39734" RELATED MASS [ChEBI] synonym: "6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C16H18N3O5S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/p-1/t9-,10-,11+,14-/m1/s1" RELATED InChI [ChEBI] synonym: "LSQZJLSUYDQPKJ-NJBDSQKTSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:6077298 "Beilstein" is_a: CHEBI:51356 ! penicillinate anion relationship: is_conjugate_base_of CHEBI:2676 ! amoxicillin [Term] id: CHEBI:51269 name: acenes namespace: chebi_ontology def: "Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound [Term] id: CHEBI:51270 name: tetracenes namespace: chebi_ontology def: "Compounds containing a tetracene skeleton." [] subset: 3_STAR synonym: "naphthacenes" RELATED [ChEBI] is_a: CHEBI:51269 ! acenes [Term] id: CHEBI:51277 name: thioester namespace: chebi_ontology def: "A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "59.967" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.07500" RELATED MASS [ChEBI] synonym: "[*]C(=O)S[*]" RELATED SMILES [ChEBI] synonym: "COSR2" RELATED FORMULA [ChEBI] synonym: "thio ester" RELATED [ChEBI] synonym: "thioesters" RELATED [ChEBI] synonym: "thiol ester" RELATED [ChEBI] is_a: CHEBI:26959 ! thiocarboxylic ester is_a: CHEBI:36586 ! carbonyl compound [Term] id: CHEBI:51308 name: dinitrile namespace: chebi_ontology def: "A dinitrile is a compound containing two nitrile groups." [] subset: 3_STAR synonym: "dinitrile" EXACT [ChEBI] synonym: "dinitriles" RELATED [ChEBI] is_a: CHEBI:18379 ! nitrile [Term] id: CHEBI:51336 name: metal sulfate namespace: chebi_ontology def: "Sulfate salts where the cation is a metal ion." [] subset: 3_STAR synonym: "metal sulfates" RELATED [ChEBI] is_a: CHEBI:24840 ! inorganic sulfate salt [Term] id: CHEBI:51354 name: benzylpenicillin(1-) namespace: chebi_ontology subset: 3_STAR synonym: "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "333.091" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "333.38326" RELATED MASS [ChEBI] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C16H17N2O4S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1" RELATED InChI [ChEBI] synonym: "JGSARLDLIJGVTE-MBNYWOFBSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3915298 "Beilstein" is_a: CHEBI:51356 ! penicillinate anion relationship: is_conjugate_base_of CHEBI:18208 ! benzylpenicillin [Term] id: CHEBI:51356 name: penicillinate anion namespace: chebi_ontology alt_id: CHEBI:58108 def: "Any anion formed by loss of a proton from the carboxy group of a penicillin." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "242.036" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "242.25200" RELATED MASS [ChEBI] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C9H10N2O4SR" RELATED FORMULA [ChEBI] synonym: "penicillin" RELATED [UniProt] synonym: "penicillin anion" RELATED [ChEBI] synonym: "penicillin anions" RELATED [ChEBI] is_a: CHEBI:47811 ! penamcarboxylate relationship: is_conjugate_base_of CHEBI:17334 ! penicillin [Term] id: CHEBI:51373 name: GABA agonist namespace: chebi_ontology def: "A drug that binds to and activates gamma-aminobutyric acid receptors." [] subset: 3_STAR is_a: CHEBI:51374 ! GABA agent [Term] id: CHEBI:51374 name: GABA agent namespace: chebi_ontology def: "A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems." [] subset: 3_STAR is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:51384 name: D-ascorbic acid namespace: chebi_ontology subset: 3_STAR synonym: "(5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "176.032" RELATED MONOISOTOPIC_MASS [ChemIDplus] synonym: "176.12412" RELATED MASS [ChEBI] synonym: "[H][C@]1(OC(=O)C(O)=C1O)[C@H](O)CO" RELATED SMILES [ChEBI] synonym: "C6H8O6" RELATED FORMULA [ChemIDplus] synonym: "CIWBSHSKHKDKBQ-MVHIGOERSA-N" RELATED InChIKey [ChEBI] synonym: "D-lyxoascorbic acid" RELATED [ChEBI] synonym: "D-threo-hex-2-enoic acid gamma-lactone" RELATED [ChEBI] synonym: "D-threo-hex-2-enono-1,4-lactone" EXACT IUPAC_NAME [IUPAC] synonym: "D-xyloascorbic acid" RELATED [ChEBI] synonym: "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1" RELATED InChI [ChEBI] xref: Beilstein:84273 "Beilstein" xref: CAS:10504-35-5 "ChemIDplus" is_a: CHEBI:22652 ! ascorbic acid relationship: is_enantiomer_of CHEBI:29073 ! L-ascorbic acid [Term] id: CHEBI:51422 name: organodiyl group namespace: chebi_ontology def: "Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s)." [] subset: 3_STAR synonym: "organodiyl groups" RELATED [ChEBI] is_a: CHEBI:51446 ! organic divalent group [Term] id: CHEBI:51446 name: organic divalent group namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:51447 name: organic univalent group namespace: chebi_ontology subset: 1_STAR synonym: "organic monovalent group" RELATED [ChEBI] is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:51454 name: cyclopropanes namespace: chebi_ontology def: "Cyclopropane and its derivatives formed by substitution." [] subset: 3_STAR is_a: CHEBI:33598 ! carbocyclic compound [Term] id: CHEBI:51569 name: N-acyl-amino acid namespace: chebi_ontology alt_id: CHEBI:21653 alt_id: CHEBI:22226 def: "A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid." [] subset: 3_STAR synonym: "acyl-amino-acid" RELATED [ChEBI] synonym: "acyl-amino-acids" RELATED [ChEBI] synonym: "acylamino acids" RELATED [ChEBI] synonym: "N-acyl amino acid" RELATED [ChEBI] synonym: "N-acyl amino acids" RELATED [ChEBI] synonym: "N-acyl-amino-acid" RELATED [ChEBI] synonym: "N-acyl-amino-acids" RELATED [ChEBI] synonym: "N-acylamino acid" RELATED [ChEBI] synonym: "N-acylamino acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:33709 ! amino acid [Term] id: CHEBI:51570 name: biotins namespace: chebi_ontology def: "Compounds containing a biotin (5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid) skeleton." [] subset: 3_STAR is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:38295 ! azabicycloalkane is_a: CHEBI:38297 ! thiabicycloalkane is_a: CHEBI:47857 ! ureas [Term] id: CHEBI:51650 name: diphosphanes namespace: chebi_ontology def: "Compounds containing two phosphane groups linked directly by a P-P bond or via a hydrocarbon bridge." [] subset: 3_STAR synonym: "diphosphines" RELATED [ChEBI] is_a: CHEBI:35878 ! phosphanes [Term] id: CHEBI:51689 name: enone namespace: chebi_ontology def: "An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "51.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "52.03150" RELATED MASS [ChEBI] synonym: "[*]\\C([*])=C(\\[*])C([*])=O" RELATED SMILES [ChEBI] synonym: "C3OR4" RELATED FORMULA [ChEBI] synonym: "enones" RELATED [ChEBI] xref: Wikipedia:Enone is_a: CHEBI:51721 ! alpha,beta-unsaturated ketone is_a: CHEBI:78840 ! olefinic compound [Term] id: CHEBI:51721 name: alpha,beta-unsaturated ketone namespace: chebi_ontology def: "A ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) or R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the ketonic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position." [] subset: 3_STAR synonym: "alpha,beta-unsaturated ketones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:51803 name: aminoacridines namespace: chebi_ontology def: "Acridines which are substituted in any position by one or more amino groups or substituted amino groups. Note that the term 'aminoacridine' is the International Prorietary Name (INN) for 9-aminoacridine." [] subset: 3_STAR synonym: "aminoacridine" RELATED [ChEBI] is_a: CHEBI:22213 ! acridines [Term] id: CHEBI:51851 name: ketonitrile namespace: chebi_ontology def: "A compound containing both ketone and nitrile functionalities." [] subset: 3_STAR synonym: "ketonitriles" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone is_a: CHEBI:18379 ! nitrile [Term] id: CHEBI:51852 name: alpha-ketonitrile namespace: chebi_ontology def: "A ketonitrile where the ketone and nitrile functionalities are on adjacent atoms." [] subset: 3_STAR synonym: "alpha-ketonitriles" RELATED [ChEBI] is_a: CHEBI:51851 ! ketonitrile [Term] id: CHEBI:51863 name: azlocillin(1-) namespace: chebi_ontology subset: 3_STAR synonym: "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2,2-dimethyl-6beta-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "460.129" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "460.48478" RELATED MASS [ChEBI] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@]([H])(NC(=O)N1CCNC1=O)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C20H22N5O6S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/p-1/t11-,12-,13+,16-/m1/s1" RELATED InChI [ChEBI] synonym: "JTWOMNBEOCYFNV-NFFDBFGFSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:5683653 "Beilstein" is_a: CHEBI:51356 ! penicillinate anion relationship: is_conjugate_base_of CHEBI:2956 ! azlocillin [Term] id: CHEBI:51958 name: organic polycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic polycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound is_a: CHEBI:33832 ! organic cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51959 name: organic tricyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic tricyclic compounds" RELATED [ChEBI] is_a: CHEBI:51958 ! organic polycyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:5206 name: GA namespace: chebi_ontology subset: 2_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "297.148" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "297.35178" RELATED MASS [ChEBI] synonym: "4-[(aminoacetyl)amino]-N-(2,6-dimethylphenyl)benzamide" EXACT IUPAC_NAME [IUPAC] synonym: "C17H19N3O2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)CN)cc1" RELATED SMILES [ChEBI] synonym: "GA" EXACT [KEGG_COMPOUND] synonym: "InChI=1S/C17H19N3O2/c1-11-4-3-5-12(2)16(11)20-17(22)13-6-8-14(9-7-13)19-15(21)10-18/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)" RELATED InChI [ChEBI] synonym: "NVVRHNPFZRQLSF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: KEGG:C11484 is_a: CHEBI:22702 ! benzamides [Term] id: CHEBI:52090 name: methoxide namespace: chebi_ontology def: "An organic anion that is the conjugate base of methanol." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "31.018" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "31.03390" RELATED MASS [ChEBI] synonym: "C[O-]" RELATED SMILES [ChEBI] synonym: "CH3O" RELATED FORMULA [ChEBI] synonym: "InChI=1S/CH3O/c1-2/h1H3/q-1" RELATED InChI [ChEBI] synonym: "methoxide ion" RELATED [ChEBI] synonym: "NBTOZLQBSIZIKS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Reaxys:1839368 "Reaxys" is_a: CHEBI:25696 ! organic anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17790 ! methanol [Term] id: CHEBI:52092 name: ethoxide namespace: chebi_ontology def: "An organic anion that is the conjugate base of ethanol." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "45.034" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "45.06050" RELATED MASS [ChEBI] synonym: "C2H5O" RELATED FORMULA [ChEBI] synonym: "CC[O-]" RELATED SMILES [ChEBI] synonym: "ethoxy anion" RELATED [ChEBI] synonym: "HHFAWKCIHAUFRX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C2H5O/c1-2-3/h2H2,1H3/q-1" RELATED InChI [ChEBI] xref: Beilstein:1839415 "Beilstein" xref: Reaxys:1839415 "Reaxys" is_a: CHEBI:25696 ! organic anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16236 ! ethanol [Term] id: CHEBI:52206 name: biochemical role namespace: chebi_ontology def: "A biological role played by the molecular entity or part thereof within a biochemical context." [] subset: 3_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52208 name: biophysical role namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52209 name: aetiopathogenetic role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof which causes the development of a pathological process." [] subset: 3_STAR synonym: "etiopathogenetic agent" RELATED [ChEBI] synonym: "etiopathogenetic role" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52210 name: pharmacological role namespace: chebi_ontology def: "A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties." [] subset: 3_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52211 name: physiological role namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52214 name: ligand namespace: chebi_ontology def: "Any molecule or ion capable of binding to a central metal atom to form coordination complexes." [] subset: 3_STAR synonym: "ligands" RELATED [ChEBI] xref: Wikipedia:Ligand is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:52215 name: photochemical role namespace: chebi_ontology def: "A chemical role played by the molecular entity or part thereof in a photochemical process." [] subset: 3_STAR synonym: "photochemical roles" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:52217 name: pharmaceutical namespace: chebi_ontology alt_id: CHEBI:33293 alt_id: CHEBI:33294 def: "Any substance introduced into a living organism with therapeutic or diagnostic purpose." [] subset: 3_STAR synonym: "farmaco" RELATED [ChEBI] synonym: "medicament" RELATED [ChEBI] synonym: "pharmaceuticals" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:52267 name: 7-hydroxyflavonol namespace: chebi_ontology def: "Any flavonol carrying a 7-hydroxy substituent." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "250.027" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "250.20570" RELATED MASS [ChEBI] synonym: "7-hydroxy-flavonols" RELATED [ChEBI] synonym: "C15H6O4R4" RELATED FORMULA [ChEBI] synonym: "Oc1cc([*])c2c(c1)oc(-c1cc([*])c([*])c([*])c1)c(O)c2=O" RELATED SMILES [ChEBI] is_a: CHEBI:28802 ! flavonols relationship: is_conjugate_acid_of CHEBI:60090 ! 7-hydroxyflavon-3-olate [Term] id: CHEBI:52362 name: ortho-fused heteroarene namespace: chebi_ontology def: "An ortho-fused compound in which at least one of the rings contains at least one heteroatom." [] subset: 3_STAR synonym: "ortho-fused heteroarenes" RELATED [ChEBI] is_a: CHEBI:33637 ! ortho-fused compound is_a: CHEBI:38180 ! polycyclic heteroarene [Term] id: CHEBI:52424 name: EC 3.2.1.* (glycosidase) inhibitor namespace: chebi_ontology alt_id: CHEBI:76776 def: "An EC 3.2.* (glycosylase) inhibitor that interferes with the action of any glycosidase (i.e. enzymes hydrolysing O- and S-glycosyl compounds, EC 3.2.1.*)." [] subset: 3_STAR synonym: "EC 3.2.1.* (glycosidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.2.1.* inhibitors" RELATED [ChEBI] synonym: "glycosidase (EC 3.2.1.*) inhibitor" RELATED [ChEBI] synonym: "glycosidase (EC 3.2.1.*) inhibitors" RELATED [ChEBI] synonym: "glycosidase inhibitor" RELATED [ChEBI] synonym: "glycosidase inhibitors" RELATED [ChEBI] synonym: "glycoside hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76761 ! EC 3.2.* (glycosylase) inhibitor [Term] id: CHEBI:52425 name: EC 3.2.1.18 (exo-alpha-sialidase) inhibitor namespace: chebi_ontology def: "An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell." [] subset: 3_STAR synonym: "acetylneuraminidase inhibitor" RELATED [ChEBI] synonym: "acetylneuraminidase inhibitors" RELATED [ChEBI] synonym: "acetylneuraminyl hydrolase inhibitor" RELATED [ChEBI] synonym: "acetylneuraminyl hydrolase inhibitors" RELATED [ChEBI] synonym: "alpha-neuraminidase inhibitor" RELATED [ChEBI] synonym: "alpha-neuraminidase inhibitors" RELATED [ChEBI] synonym: "EC 3.2.1.18 (exo-alpha-sialidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.2.1.18 inhibitor" RELATED [ChEBI] synonym: "EC 3.2.1.18 inhibitors" RELATED [ChEBI] synonym: "exo-alpha-sialidase (EC 3.2.1.18) inhibitor" RELATED [ChEBI] synonym: "exo-alpha-sialidase (EC 3.2.1.18) inhibitors" RELATED [ChEBI] synonym: "exo-alpha-sialidase inhibitor" RELATED [ChEBI] synonym: "exo-alpha-sialidase inhibitors" RELATED [ChEBI] synonym: "N-acylneuraminate glycohydrolase inhibitor" RELATED [ChEBI] synonym: "N-acylneuraminate glycohydrolase inhibitors" RELATED [ChEBI] synonym: "neuraminidase inhibitor" RELATED [ChEBI] synonym: "neuraminidase inhibitors" RELATED [ChEBI] synonym: "sialidase inhibitor" RELATED [ChEBI] synonym: "sialidase inhibitors" RELATED [ChEBI] is_a: CHEBI:36044 ! antiviral drug is_a: CHEBI:52424 ! EC 3.2.1.* (glycosidase) inhibitor [Term] id: CHEBI:52440 name: cephalosporin carboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "cephalosporin carboxylate" RELATED [ChEBI] synonym: "cephalosporin carboxylates" RELATED [ChEBI] synonym: "cephalosporin carboxylic acid anions" RELATED [ChEBI] synonym: "cephalosporincarboxylate" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:52672 name: rhodamine 6G namespace: chebi_ontology alt_id: CHEBI:49841 alt_id: CHEBI:8829 subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid, ethyl ester, monohydrochloride" RELATED [ChemIDplus] synonym: "478.202" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "478.202" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "479.01000" RELATED MASS [ChEBI] synonym: "9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride" RELATED [ChemIDplus] synonym: "9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C" RELATED SMILES [ChEBI] synonym: "Basic Red 1" RELATED [ChEBI] synonym: "C28H31ClN2O3" RELATED FORMULA [ChEBI] synonym: "C28H31N2O3.Cl" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1" RELATED InChI [ChEBI] synonym: "R6G" RELATED [ChEBI] synonym: "Rhodamine 6G" EXACT [KEGG_COMPOUND] synonym: "XFKVYXCRNATCOO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:3900071 "Beilstein" xref: CAS:989-38-8 "ChemIDplus" xref: DrugBank:DB03825 xref: KEGG:C11177 is_a: CHEBI:36094 ! organic chloride salt is_a: CHEBI:52895 ! rhodamine 6G(1+) [Term] id: CHEBI:52839 name: acridinium ion namespace: chebi_ontology subset: 3_STAR synonym: "acridinium ion" EXACT [ChEBI] synonym: "acridinium ions" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation [Term] id: CHEBI:52855 name: inorganic nanoparticle namespace: chebi_ontology def: "A nanoparticle that contains no carbon." [] subset: 3_STAR synonym: "inorganic nanoparticles" RELATED [ChEBI] is_a: CHEBI:50803 ! nanoparticle [Term] id: CHEBI:52895 name: rhodamine 6G(1+) namespace: chebi_ontology def: "A cationic fluorescent dye derived from 9-phenylxanthene." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "443.233" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "443.55730" RELATED MASS [ChEBI] synonym: "9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium" EXACT IUPAC_NAME [IUPAC] synonym: "BRIVWQJCHBUVLE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C28H31N2O3" RELATED FORMULA [ChEBI] synonym: "CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C" RELATED SMILES [ChEBI] synonym: "InChI=1S/C28H31N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29-30H,6-8H2,1-5H3/q+1" RELATED InChI [ChEBI] synonym: "rhodamine 6G cation" RELATED [ChEBI] xref: CAS:47724-48-1 "ChemIDplus" is_a: CHEBI:25697 ! organic cation is_a: CHEBI:37929 ! xanthene dye relationship: has_role CHEBI:51217 ! fluorochrome [Term] id: CHEBI:53000 name: epitope namespace: chebi_ontology def: "The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds." [] subset: 3_STAR synonym: "antigenic determinant" RELATED [ChEBI] synonym: "epitope function" RELATED [ChEBI] synonym: "epitope role" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:53258 name: sodium citrate namespace: chebi_ontology def: "The trisodium salt of citric acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "257.973" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "258.06900" RELATED MASS [ChEBI] synonym: "[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C6H5Na3O7" RELATED FORMULA [ChEBI] synonym: "citric acid trisodium salt" RELATED [ChEBI] synonym: "HRXKRNGNAMMEHJ-UHFFFAOYSA-K" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3" RELATED InChI [ChEBI] synonym: "trisodium 2-hydroxypropane-1,2,3-tricarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "trisodium citrate" RELATED [ChEBI] xref: Reaxys:3920956 "Reaxys" xref: Wikipedia:Trisodium_citrate is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:16947 ! citrate(3-) relationship: has_role CHEBI:35617 ! flavouring agent relationship: has_role CHEBI:50249 ! anticoagulant [Term] id: CHEBI:53443 name: salicylamides namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22702 ! benzamides relationship: has_functional_parent CHEBI:16914 ! salicylic acid [Term] id: CHEBI:53468 name: salicylanilides namespace: chebi_ontology def: "The compound salicylanilide and its derivatives." [] subset: 3_STAR is_a: CHEBI:13248 ! anilide is_a: CHEBI:32114 ! salicylamide [Term] id: CHEBI:53559 name: topoisomerase IV inhibitor namespace: chebi_ontology def: "A topoisomerase inhibitor that inhibits DNA topoisomerase IV, which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands." [] subset: 3_STAR synonym: "topoisomerase IV inhibitors" RELATED [ChEBI] is_a: CHEBI:70727 ! topoisomerase inhibitor [Term] id: CHEBI:53670 name: cefotaxime(1-) namespace: chebi_ontology def: "A cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime." [] subset: 3_STAR synonym: "(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" RELATED [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "454.049" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "454.45800" RELATED MASS [ChEBI] synonym: "[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C16H16N5O7S2" RELATED FORMULA [ChEBI] synonym: "GPRBEKHLDVQUJE-QSWIMTSFSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/p-1/b20-9-/t10-,14-/m1/s1" RELATED InChI [ChEBI] xref: Beilstein:8174207 "Beilstein" xref: Gmelin:1794119 "Gmelin" xref: Reaxys:8174207 "Reaxys" is_a: CHEBI:52440 ! cephalosporin carboxylic acid anion relationship: is_conjugate_base_of CHEBI:204928 ! cefotaxime [Term] id: CHEBI:5417 name: glucosamine namespace: chebi_ontology subset: 3_STAR synonym: "2-Amino-2-deoxy-glucose" RELATED [KEGG_COMPOUND] synonym: "2-amino-2-deoxyglucose" EXACT IUPAC_NAME [IUPAC] synonym: "C6H13NO5" RELATED FORMULA [ChEBI] synonym: "GlcN" RELATED [JCBN] synonym: "Glucosamin" RELATED [ChEBI] synonym: "Glucosamine" EXACT [KEGG_COMPOUND] synonym: "glucosamine" EXACT IUPAC_NAME [IUPAC] synonym: "Glukosamin" RELATED [ChEBI] xref: DrugBank:DB01296 xref: KEGG:C01811 is_a: CHEBI:24271 ! glucosamines [Term] id: CHEBI:55323 name: antidiarrhoeal drug namespace: chebi_ontology def: "Any drug found useful in the symptomatic treatment of diarrhoea." [] subset: 3_STAR synonym: "antidiarrheal" RELATED [ChEBI] synonym: "antidiarrheal agent" RELATED [ChEBI] synonym: "antidiarrheal agents" RELATED [ChEBI] synonym: "antidiarrheal drug" RELATED [ChEBI] synonym: "antidiarrheal drugs" RELATED [ChEBI] synonym: "antidiarrheals" RELATED [ChEBI] synonym: "antidiarrhoeal" RELATED [ChEBI] synonym: "antidiarrhoeal agent" RELATED [ChEBI] synonym: "antidiarrhoeal agents" RELATED [ChEBI] synonym: "antidiarrhoeal drugs" RELATED [ChEBI] synonym: "antidiarrhoeals" RELATED [ChEBI] synonym: "antiperistaltic" RELATED [ChEBI] synonym: "antiperistaltic agent" RELATED [ChEBI] synonym: "antiperistaltic agents" RELATED [ChEBI] synonym: "antiperistaltic drug" RELATED [ChEBI] synonym: "antiperistaltic drugs" RELATED [ChEBI] synonym: "antiperistaltics" RELATED [ChEBI] is_a: CHEBI:55324 ! gastrointestinal drug [Term] id: CHEBI:55324 name: gastrointestinal drug namespace: chebi_ontology def: "A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion." [] subset: 3_STAR synonym: "gastrointestinal agent" RELATED [ChEBI] synonym: "gastrointestinal agents" RELATED [ChEBI] synonym: "gastrointestinal drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:55370 name: imidazolidinone namespace: chebi_ontology def: "An imidazolidine containing one or more oxo groups." [] subset: 3_STAR synonym: "imidazolidinones" RELATED [ChEBI] is_a: CHEBI:38261 ! imidazolidines [Term] id: CHEBI:55373 name: isoxazoles namespace: chebi_ontology alt_id: CHEBI:46813 def: "Oxazoles in which the N and O atoms are adjacent." [] subset: 3_STAR synonym: "1,2-oxazoles" RELATED [ChEBI] synonym: "isoxazoles" EXACT [ChEBI] is_a: CHEBI:35790 ! oxazole [Term] id: CHEBI:55417 name: maleimides namespace: chebi_ontology def: "Compounds containing a cyclic dicarboximide skeleton in which the two carboacyl groups on nitrogen together with the nitrogen itself form a 1H-pyrrole-2,5-dione structure." [] subset: 3_STAR is_a: CHEBI:35356 ! dicarboximide relationship: has_functional_parent CHEBI:18300 ! maleic acid [Term] id: CHEBI:55474 name: N-acyl-L-homoserine lactone namespace: chebi_ontology def: "A carboxamide consisting of L-homoserine lactone having an unspecified N-acyl substituent." [] subset: 3_STAR synonym: "(3S)-3-alkanamido-4,5-dihydrofuran-2(3H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "128.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "128.10600" RELATED MASS [ChEBI] synonym: "[*]C(=O)N[C@H]1CCOC1=O" RELATED SMILES [ChEBI] synonym: "AHL" RELATED [ChEBI] synonym: "AHLs" RELATED [ChEBI] synonym: "an N-acyl-L-homoserine lactone" RELATED [UniProt] synonym: "C5H6NO3R" RELATED FORMULA [ChEBI] synonym: "N-acyl-L-homoserine lactones" RELATED [ChEBI] synonym: "N-acyl-S-homoserine lactone" RELATED [ChEBI] synonym: "N-acyl-S-homoserine lactones" RELATED [ChEBI] synonym: "N-AHL" RELATED [ChEBI] synonym: "N-AHLs" RELATED [ChEBI] xref: KEGG:C18049 xref: PMID:10794136 "Europe PMC" xref: PMID:17338438 "Europe PMC" is_a: CHEBI:22950 ! butan-4-olide is_a: CHEBI:37622 ! carboxamide relationship: has_functional_parent CHEBI:30655 ! L-homoserine lactone [Term] id: CHEBI:5653 name: hemiacetal namespace: chebi_ontology def: "A compound having the general formula RR'C(OH)OR'' (R'' =/= H)." [] subset: 3_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "46.005" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "46.025" RELATED MASS [KEGG_COMPOUND] synonym: "CH2O2R2" RELATED FORMULA [KEGG_COMPOUND] synonym: "Hemiacetal" EXACT [KEGG_COMPOUND] synonym: "hemiacetals" EXACT IUPAC_NAME [IUPAC] synonym: "hemiacetals" RELATED [ChEBI] is_a: CHEBI:30879 ! alcohol [Term] id: CHEBI:5686 name: heterocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of at least two different elements." [] subset: 3_STAR synonym: "compuesto heterociclico" RELATED [IUPAC] synonym: "compuestos heterociclicos" RELATED [IUPAC] synonym: "heterocycle" RELATED [ChEBI] synonym: "Heterocyclic compound" EXACT [KEGG_COMPOUND] synonym: "heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:57287 name: coenzyme A(4-) namespace: chebi_ontology def: "Tetraanion of coenzyme A." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}" EXACT IUPAC_NAME [IUPAC] synonym: "763.084" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "763.50200" RELATED MASS [ChEBI] synonym: "C21H32N7O16P3S" RELATED FORMULA [ChEBI] synonym: "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS" RELATED SMILES [ChEBI] synonym: "CoA" RELATED [UniProt] synonym: "InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-4/t11-,14-,15-,16+,20-/m1/s1" RELATED InChI [ChEBI] synonym: "RGJOEKWQDUBAIZ-IBOSZNHHSA-J" RELATED InChIKey [ChEBI] xref: Beilstein:11604429 "Beilstein" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15346 ! coenzyme A [Term] id: CHEBI:57288 name: acetyl-CoA(4-) namespace: chebi_ontology def: "An acyl-CoA(4-) that is the tetraanion of acetyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "805.094" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "805.53900" RELATED MASS [ChEBI] synonym: "AcCoA(4-)" RELATED [ChEBI] synonym: "acetyl-CoA" RELATED [UniProt] synonym: "acetyl-CoA tetraanion" RELATED [ChEBI] synonym: "acetyl-coenzyme A(4-)" RELATED [ChEBI] synonym: "C23H34N7O17P3S" RELATED FORMULA [ChEBI] synonym: "CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12" RELATED SMILES [ChEBI] synonym: "InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/p-4/t13-,16-,17-,18+,22-/m1/s1" RELATED InChI [ChEBI] synonym: "ZSLZBFCDCINBPY-ZSJPKINUSA-J" RELATED InChIKey [ChEBI] xref: Beilstein:8468140 "Beilstein" is_a: CHEBI:58342 ! acyl-CoA(4-) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15351 ! acetyl-CoA [Term] id: CHEBI:57299 name: ATP(3-) namespace: chebi_ontology def: "A ribonucleoside triphosphate oxoanion that is the trianion of adenosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "503.972" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "504.15720" RELATED MASS [ChEBI] synonym: "ATP(3-)" EXACT [UniProt] synonym: "C10H13N5O13P3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "ZKHQWZAMYRWXGA-KQYNXXCUSA-K" RELATED InChIKey [ChEBI] xref: Beilstein:9535056 "Beilstein" is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:30616 ! ATP(4-) relationship: is_conjugate_base_of CHEBI:15422 ! ATP relationship: is_conjugate_base_of CHEBI:237958 ! ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate [Term] id: CHEBI:57305 name: glycine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-azaniumylacetate" EXACT IUPAC_NAME [IUPAC] synonym: "75.032" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "75.06660" RELATED MASS [ChEBI] synonym: "[NH3+]CC([O-])=O" RELATED SMILES [ChEBI] synonym: "C2H5NO2" RELATED FORMULA [ChEBI] synonym: "DHMQDGOQFOQNFH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "glycine" RELATED [UniProt] synonym: "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" RELATED InChI [ChEBI] xref: Gmelin:1807 "Gmelin" xref: MetaCyc:GLY is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:15428 ! glycine [Term] id: CHEBI:57390 name: phenylacetyl-CoA(4-) namespace: chebi_ontology def: "Tetraanion of phenylacetyl-CoA arising from deprotonation of phosphate and diphosphate functions." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}" EXACT IUPAC_NAME [IUPAC] synonym: "881.126" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "881.63500" RELATED MASS [ChEBI] synonym: "C29H38N7O17P3S" RELATED FORMULA [ChEBI] synonym: "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,22-,23-,24+,28-/m1/s1" RELATED InChI [ChEBI] synonym: "phenylacetyl-CoA" RELATED [UniProt] synonym: "ZIGIFDRJFZYEEQ-CECATXLMSA-J" RELATED InChIKey [ChEBI] is_a: CHEBI:58342 ! acyl-CoA(4-) relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15537 ! phenylacetyl-CoA [Term] id: CHEBI:57416 name: D-alanine zwitterion namespace: chebi_ontology def: "Zwitterionic form of D-alanine." [] subset: 3_STAR synonym: "(2R)-2-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "89.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "89.09320" RELATED MASS [ChEBI] synonym: "C3H7NO2" RELATED FORMULA [ChEBI] synonym: "C[C@@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "D-alanine" RELATED [UniProt] synonym: "D-alanine zwitterion" EXACT [IUPAC] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "QNAYBMKLOCPYGJ-UWTATZPHSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:66916 ! alanine zwitterion relationship: is_tautomer_of CHEBI:15570 ! D-alanine [Term] id: CHEBI:57481 name: UTP(3-) namespace: chebi_ontology def: "Trianion of UTP arising from deprotonation of three of the OH groups from the triphosphate moiety." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "480.945" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "481.11730" RELATED MASS [ChEBI] synonym: "C9H12N2O15P3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" RELATED SMILES [ChEBI] synonym: "PGAVKCOVUIYSFO-XVFCMESISA-K" RELATED InChIKey [ChEBI] synonym: "UTP (3-)" RELATED [UniProt] synonym: "UTP trianion" RELATED [ChEBI] xref: Beilstein:3807363 "Beilstein" is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion relationship: is_conjugate_base_of CHEBI:15713 ! UTP [Term] id: CHEBI:57513 name: N-acetyl-D-glucosamine 6-phosphate(2-) namespace: chebi_ontology def: "Dianion of N-acetyl-D-glucosamine 6-phosphate arising from deprotonation of both OH groups of the phosphate." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "2-acetamido-2-deoxy-6-O-phosphonato-D-glucopyranose" RELATED [ChEBI] synonym: "2-acetamido-2-deoxy-D-glucopyranose 6-phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "299.041" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "299.17180" RELATED MASS [ChEBI] synonym: "BRGMHAYQAZFZDJ-RTRLPJTCSA-L" RELATED InChIKey [ChEBI] synonym: "C8H14NO9P" RELATED FORMULA [ChEBI] synonym: "CC(=O)N[C@H]1C(O)O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/p-2/t4-,5-,6-,7-,8?/m1/s1" RELATED InChI [ChEBI] synonym: "N-acetyl-D-glucosamine 6-phosphate" RELATED [UniProt] synonym: "N-acetyl-D-glucosamine 6-phosphate dianion" RELATED [ChEBI] xref: Beilstein:5355763 "Beilstein" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15784 ! N-acetyl-D-glucosamine 6-phosphate [Term] id: CHEBI:57560 name: long-chain fatty acid anion namespace: chebi_ontology alt_id: CHEBI:13652 def: "A fatty acid anion with a chain length of C13 or greater." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "a long-chain carboxylate" RELATED [ChEBI] synonym: "a long-chain fatty acid" RELATED [UniProt] synonym: "CO2R" RELATED FORMULA [ChEBI] synonym: "long-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:15904 ! long-chain fatty acid [Term] id: CHEBI:57586 name: biotinate namespace: chebi_ontology def: "Conjugate base of biotin arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "243.080" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "243.30300" RELATED MASS [ChEBI] synonym: "5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2" RELATED SMILES [ChEBI] synonym: "biotin" RELATED [UniProt] synonym: "biotinate anion" RELATED [ChEBI] synonym: "C10H15N2O3S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-/m0/s1" RELATED InChI [ChEBI] synonym: "YBJHBAHKTGYVGT-ZKWXMUAHSA-M" RELATED InChIKey [ChEBI] xref: Beilstein:10186323 "Beilstein" xref: MetaCyc:BIOTIN is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15956 ! biotin [Term] id: CHEBI:57597 name: sn-glycerol 3-phosphate(2-) namespace: chebi_ontology def: "An organophosphate oxoanion that is the dianion of sn-glycerol 3-phosphate arising from deprotonation of both phosphate OH groups." [] subset: 3_STAR synonym: "(2R)-2,3-dihydroxypropyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-3-(phosphonatooxy)propane-1,2-diol" RELATED [ChEBI] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "169.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "170.05780" RELATED MASS [ChEBI] synonym: "AWUCVROLDVIAJX-GSVOUGTGSA-L" RELATED InChIKey [ChEBI] synonym: "C3H7O6P" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m1/s1" RELATED InChI [ChEBI] synonym: "OC[C@@H](O)COP([O-])([O-])=O" RELATED SMILES [ChEBI] synonym: "sn-glycerol 3-phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "sn-glycerol 3-phosphate" RELATED [UniProt] xref: Beilstein:6115564 "Beilstein" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15978 ! sn-glycerol 3-phosphate [Term] id: CHEBI:57599 name: N-acyl-D-glucosamine 6-phosphate(2-) namespace: chebi_ontology def: "Dianion of N-acyl-D-glucosamine 6-phosphate arising from deprotonation of the phosphate OH groups." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "284.017" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "284.13730" RELATED MASS [ChEBI] synonym: "an N-acyl-D-glucosamine 6-phosphate" RELATED [UniProt] synonym: "C7H11NO9PR" RELATED FORMULA [ChEBI] synonym: "N-acyl-D-glucosamine 6-phosphate dianion" RELATED [ChEBI] synonym: "O[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1NC([*])=O" RELATED SMILES [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:15993 ! N-acyl-D-glucosamine 6-phosphate [Term] id: CHEBI:57600 name: GTP(3-) namespace: chebi_ontology def: "Trianion of GTP arising from deprotonation of three of the four phosphate OH groups." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "519.967" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "520.15660" RELATED MASS [ChEBI] synonym: "C10H13N5O14P3" RELATED FORMULA [ChEBI] synonym: "GTP trianion" RELATED [ChEBI] synonym: "GTP(3-)" EXACT [UniProt] synonym: "InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "XKMLYUALXHKNFT-UUOKFMHZSA-K" RELATED InChIKey [ChEBI] xref: Beilstein:4285687 "Beilstein" xref: Gmelin:2507814 "Gmelin" is_a: CHEBI:37121 ! guanosine 5'-phosphate is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_acid_of CHEBI:37565 ! GTP(4-) relationship: is_conjugate_base_of CHEBI:15996 ! GTP [Term] id: CHEBI:57630 name: gamma-amino-beta-hydroxybutyric acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of gamma-amino-beta-hydroxybutyric acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "119.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "119.11920" RELATED MASS [ChEBI] synonym: "4-ammonio-3-hydroxybutanoate" RELATED [ChEBI] synonym: "4-azaniumyl-3-hydroxybutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "[NH3+]CC(O)CC([O-])=O" RELATED SMILES [ChEBI] synonym: "C4H9NO3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)" RELATED InChI [ChEBI] synonym: "YQGDEPYYFWUPGO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:11955 ! 4-amino-3-hydroxybutanoate relationship: is_tautomer_of CHEBI:16080 ! gamma-amino-beta-hydroxybutyric acid [Term] id: CHEBI:57670 name: N-acylglycinate namespace: chebi_ontology def: "A carboxylic acid anion obtained by deprotonation of the carboxy group of any N-acylglycine." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "101.011" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "101.06080" RELATED MASS [ChEBI] synonym: "[O-]C(=O)CNC([*])=O" RELATED SMILES [ChEBI] synonym: "an N-acylglycine" RELATED [UniProt] synonym: "C3H3NO3R" RELATED FORMULA [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: has_functional_parent CHEBI:32508 ! glycinate relationship: is_conjugate_base_of CHEBI:16180 ! N-acylglycine [Term] id: CHEBI:57685 name: sn-glycerol 1-phosphate(2-) namespace: chebi_ontology def: "A glycerol 1-phosphate(2-) that is the dianion of sn-glycerol 1-phosphate arising from deprotonation of both phosphate OH groups." [] subset: 3_STAR synonym: "(2S)-2,3-dihydroxypropyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "-2" RELATED CHARGE [ChEBI] synonym: "169.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "170.05780" RELATED MASS [ChEBI] synonym: "AWUCVROLDVIAJX-VKHMYHEASA-L" RELATED InChIKey [ChEBI] synonym: "C3H7O6P" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "OC[C@H](O)COP([O-])([O-])=O" RELATED SMILES [ChEBI] synonym: "sn-glycerol 1-phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "sn-glycerol 1-phosphate" RELATED [UniProt] synonym: "sn-glycerol 1-phosphate dianion" RELATED [ChEBI] xref: Beilstein:3543395 "Beilstein" xref: MetaCyc:SN-GLYCEROL-1-PHOSPHATE xref: Reaxys:3543395 "Reaxys" is_a: CHEBI:231935 ! glycerol 1-phosphate(2-) relationship: has_role CHEBI:78947 ! archaeal metabolite relationship: is_conjugate_base_of CHEBI:16221 ! sn-glycerol 1-phosphate [Term] id: CHEBI:57694 name: quercetin-7-olate namespace: chebi_ontology def: "Conjugate base of quercetin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4-chromen-7-olate" EXACT IUPAC_NAME [IUPAC] synonym: "301.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "301.22830" RELATED MASS [ChEBI] synonym: "C15H9O7" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/p-1" RELATED InChI [ChEBI] synonym: "Oc1ccc(cc1O)-c1oc2cc([O-])cc(O)c2c(=O)c1O" RELATED SMILES [ChEBI] synonym: "quercetin" RELATED [UniProt] synonym: "quercetin anion" RELATED [ChEBI] synonym: "REFJWTPEDVJJIY-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] is_a: CHEBI:58588 ! flavonol oxoanion relationship: is_conjugate_base_of CHEBI:16243 ! quercetin [Term] id: CHEBI:57719 name: D-tryptophan zwitterion namespace: chebi_ontology def: "Zwitterionic form of D-tryptophan having an anionic carboxy group and a protonated alpha-amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-ammonio-3-(1H-indol-3-yl)propanoate" RELATED [ChEBI] synonym: "(2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "204.090" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "204.22520" RELATED MASS [ChEBI] synonym: "[NH3+][C@H](Cc1c[nH]c2ccccc12)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C11H12N2O2" RELATED FORMULA [ChEBI] synonym: "D-tryptophan" RELATED [UniProt] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1" RELATED InChI [ChEBI] synonym: "QIVBCDIJIAJPQS-SECBINFHSA-N" RELATED InChIKey [ChEBI] synonym: "tryptophan" RELATED [ChEBI] xref: MetaCyc:D-TRYPTOPHAN is_a: CHEBI:64554 ! tryptophan zwitterion relationship: is_tautomer_of CHEBI:16296 ! D-tryptophan [Term] id: CHEBI:57757 name: D-threonine zwitterion namespace: chebi_ontology def: "A D-alpha-amino acid zwitterion that is D-threonine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "(2R,3S)-2-azaniumyl-3-hydroxybutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "119.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "119.11920" RELATED MASS [ChEBI] synonym: "AYFVYJQAPQTCCC-STHAYSLISA-N" RELATED InChIKey [ChEBI] synonym: "C4H9NO3" RELATED FORMULA [ChEBI] synonym: "C[C@H](O)[C@@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "D-threonine" RELATED [UniProt] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1" RELATED InChI [ChEBI] is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:16398 ! D-threonine [Term] id: CHEBI:57834 name: spermidine(3+) namespace: chebi_ontology def: "An ammonium ion that is the trication of spermidine, formed by protonation at all three nitrogens." [] subset: 3_STAR synonym: "(4-azaniumylbutyl)(3-azaniumylpropyl)azanium" EXACT IUPAC_NAME [IUPAC] synonym: "+3" RELATED CHARGE [ChEBI] synonym: "148.181" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "148.26970" RELATED MASS [ChEBI] synonym: "[NH3+]CCCC[NH2+]CCC[NH3+]" RELATED SMILES [ChEBI] synonym: "ATHGHQPFGPMSJY-UHFFFAOYSA-Q" RELATED InChIKey [ChEBI] synonym: "C7H22N3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3" RELATED InChI [ChEBI] synonym: "N-(3-ammoniopropyl)butane-1,4-diaminium" RELATED [IUPAC] synonym: "spermidine" RELATED [UniProt] xref: MetaCyc:SPERMIDINE is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:16610 ! spermidine [Term] id: CHEBI:57844 name: L-methionine zwitterion namespace: chebi_ontology def: "Zwitterionic form of L-methionine having a anionic carboxy group and a cationic amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-4-(methylsulfanyl)butanoate" RELATED [ChEBI] synonym: "(2S)-2-azaniumyl-4-(methylsulfanyl)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "149.051" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "149.21100" RELATED MASS [ChEBI] synonym: "C5H11NO2S" RELATED FORMULA [ChEBI] synonym: "CSCC[C@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "FFEARJCKVFRZRR-BYPYZUCNSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "L-methionine" RELATED [UniProt] xref: Gmelin:560248 "Gmelin" xref: MetaCyc:MET is_a: CHEBI:64558 ! methionine zwitterion relationship: is_tautomer_of CHEBI:16643 ! L-methionine [Term] id: CHEBI:57846 name: L-fuculose 1-phosphate(2-) namespace: chebi_ontology def: "Dianion of L-fuculose 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "242.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "242.12050" RELATED MASS [ChEBI] synonym: "6-deoxy-1-O-phosphonato-L-tagatose" RELATED [IUPAC] synonym: "6-deoxy-L-lyxo-hex-2-ulose 1-phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "6-deoxy-L-tagatose 1-phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "C6H11O8P" RELATED FORMULA [ChEBI] synonym: "C[C@H](O)[C@@H](O)[C@@H](O)C(=O)COP([O-])([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/p-2/t3-,5+,6-/m0/s1" RELATED InChI [ChEBI] synonym: "KNYGWWDTPGSEPD-LFRDXLMFSA-L" RELATED InChIKey [ChEBI] synonym: "L-fuculose 1-phosphate" RELATED [UniProt] synonym: "L-fuculose 1-phosphate dianio" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:16647 ! L-fuculose 1-phosphate [Term] id: CHEBI:57865 name: UMP(2-) namespace: chebi_ontology def: "A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of UMP." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "322.020" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "322.16540" RELATED MASS [ChEBI] synonym: "5'-O-phosphonatouridine" EXACT IUPAC_NAME [IUPAC] synonym: "5'-uridylate" RELATED [ChEBI] synonym: "C9H11N2O9P" RELATED FORMULA [ChEBI] synonym: "DJJCXFVJDGTHFX-XVFCMESISA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" RELATED SMILES [ChEBI] synonym: "UMP" RELATED [UniProt] synonym: "UMP dianion" RELATED [ChEBI] synonym: "uridine 5'-phosphate" RELATED [ChEBI] xref: Beilstein:3570858 "Beilstein" xref: Gmelin:341500 "Gmelin" is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16695 ! UMP [Term] id: CHEBI:57867 name: nucleoside 5'-phosphate dianion namespace: chebi_ontology def: "The conjugate base of a nucleoside 5'-phosphate." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "193.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "194.07920" RELATED MASS [ChEBI] synonym: "a nucleoside 5'-phosphate" RELATED [UniProt] synonym: "C5H7O6PR2" RELATED FORMULA [ChEBI] synonym: "nucleoside 5'-phosphate dianions" RELATED [ChEBI] synonym: "O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP([O-])([O-])=O" RELATED SMILES [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:16701 ! nucleoside 5'-phosphate [Term] id: CHEBI:57869 name: 6-aminopenicillanic acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of 6-aminopenicillanic acid arising from migration of a proton from the carboxy group to the 6-amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S,5R,6R)-6-azaniumyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "216.057" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "216.25700" RELATED MASS [ChEBI] synonym: "6-aminopenicillanate" RELATED [UniProt] synonym: "6-azaniumyl-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2[NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "C8H12N2O3S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1" RELATED InChI [ChEBI] synonym: "NGHVIOIJCVXTGV-ALEPSDHESA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:30938 ! 6-aminopenicillanate relationship: is_tautomer_of CHEBI:16705 ! 6-aminopenicillanic acid [Term] id: CHEBI:57912 name: L-tryptophan zwitterion namespace: chebi_ontology def: "An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-tryptophan; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate" RELATED [IUPAC] synonym: "(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "204.090" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "204.22520" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H](Cc1c[nH]c2ccccc12)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C11H12N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1" RELATED InChI [ChEBI] synonym: "L-tryptophan" RELATED [UniProt] synonym: "QIVBCDIJIAJPQS-VIFPVBQESA-N" RELATED InChIKey [ChEBI] synonym: "tryptophan" RELATED [ChEBI] xref: Gmelin:1896155 "Gmelin" xref: MetaCyc:TRP is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion is_a: CHEBI:64554 ! tryptophan zwitterion relationship: is_tautomer_of CHEBI:16828 ! L-tryptophan [Term] id: CHEBI:57925 name: glutathionate(1-) namespace: chebi_ontology def: "A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of glutathione; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "306.076" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "306.31600" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C10H16N3O6S" RELATED FORMULA [ChEBI] synonym: "glutathionate" RELATED [ChEBI] synonym: "glutathionate anion" RELATED [ChEBI] synonym: "glutathionate ion" RELATED [ChEBI] synonym: "glutathione" RELATED [UniProt] synonym: "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1" RELATED InChI [ChEBI] synonym: "RWSXRVCMGQZWBV-WDSKDSINSA-M" RELATED InChIKey [ChEBI] xref: PMID:4200890 "Europe PMC" xref: PMID:4745654 "Europe PMC" is_a: CHEBI:60334 ! peptide anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16856 ! glutathione [Term] id: CHEBI:57926 name: L-threonine zwitterion namespace: chebi_ontology def: "Zwitterionic form of L-threonine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S,3R)-2-ammonio-3-hydroxybutanoate" RELATED [IUPAC] synonym: "(2S,3R)-2-azaniumyl-3-hydroxybutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "119.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "119.11920" RELATED MASS [ChEBI] synonym: "AYFVYJQAPQTCCC-GBXIJSLDSA-N" RELATED InChIKey [ChEBI] synonym: "C4H9NO3" RELATED FORMULA [ChEBI] synonym: "C[C@@H](O)[C@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1" RELATED InChI [ChEBI] synonym: "L-threonine" RELATED [UniProt] xref: Gmelin:2506280 "Gmelin" is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16857 ! L-threonine [Term] id: CHEBI:57930 name: nucleoside 5'-diphosphate(3-) namespace: chebi_ontology def: "Trianion of nucleoside diiphosphate arising from deprotonation of all three free OH groups of the diphosphate; major species at pH 7.3." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "289.959" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "305.09310" RELATED MASS [ChEBI] synonym: "a ribonucleoside 5'-diphosphate" RELATED [UniProt] synonym: "C5H8O10P2R" RELATED FORMULA [ChEBI] synonym: "C[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "NDP trianion" RELATED [ChEBI] synonym: "NDP(3-)" RELATED [ChEBI] synonym: "nucleoside diphosphate trianion" RELATED [ChEBI] synonym: "ribonucleoside diphosphate trianion" RELATED [ChEBI] synonym: "ribonucleoside diphosphate(3-)" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:16862 ! nucleoside diphosphate [Term] id: CHEBI:57932 name: D-methionine zwitterion namespace: chebi_ontology def: "Zwitterionic form of D-methionine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-ammonio-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "(2R)-2-azaniumyl-4-(methylsulfanyl)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "149.051" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "149.21100" RELATED MASS [ChEBI] synonym: "C5H11NO2S" RELATED FORMULA [ChEBI] synonym: "CSCC[C@@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "D-methionine" RELATED [UniProt] synonym: "FFEARJCKVFRZRR-SCSAIBSYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1" RELATED InChI [ChEBI] xref: MetaCyc:CPD-218 is_a: CHEBI:64558 ! methionine zwitterion relationship: is_tautomer_of CHEBI:16867 ! D-methionine [Term] id: CHEBI:57966 name: beta-alanine zwitterion namespace: chebi_ontology def: "Zwitterionic form of beta-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "3-ammoniopropanoate" RELATED [IUPAC] synonym: "3-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "89.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "89.09320" RELATED MASS [ChEBI] synonym: "[NH3+]CCC([O-])=O" RELATED SMILES [ChEBI] synonym: "beta-alanine" RELATED [UniProt] synonym: "C3H7NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" RELATED InChI [ChEBI] synonym: "UCMIRNVEIXFBKS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Gmelin:454332 "Gmelin" is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16958 ! beta-alanine [Term] id: CHEBI:57971 name: hygromycin B(3+) namespace: chebi_ontology def: "An ammonium ion that is the trication of hygromycin B arising from protonation of the three amino groups; major species at pH 7.3." [] subset: 3_STAR synonym: "(1R,2S,3R,5S,6R)-3-azaniumyl-2,6-dihydroxy-5-(methylazaniumyl)cyclohexyl O-6-azaniumyl-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "+3" RELATED CHARGE [ChEBI] synonym: "530.256" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "530.54390" RELATED MASS [ChEBI] synonym: "C20H40N3O13" RELATED FORMULA [ChEBI] synonym: "C[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C([NH3+])CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "GRRNUXAQVGOGFE-NZSRVPFOSA-Q" RELATED InChIKey [ChEBI] synonym: "hygromycin B" RELATED [UniProt] synonym: "hygromycin B trication" RELATED [ChEBI] synonym: "InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/p+3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1" RELATED InChI [ChEBI] is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:16976 ! hygromycin B [Term] id: CHEBI:57972 name: L-alanine zwitterion namespace: chebi_ontology def: "Zwitterionic form of L-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammoniopropanoate" RELATED [IUPAC] synonym: "(2S)-2-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "89.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "89.09320" RELATED MASS [ChEBI] synonym: "C3H7NO2" RELATED FORMULA [ChEBI] synonym: "C[C@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-alanine" RELATED [UniProt] synonym: "QNAYBMKLOCPYGJ-REOHCLBHSA-N" RELATED InChIKey [ChEBI] xref: Gmelin:362662 "Gmelin" is_a: CHEBI:66916 ! alanine zwitterion relationship: is_tautomer_of CHEBI:16977 ! L-alanine [Term] id: CHEBI:57990 name: 2-dehydro-3-deoxy-D-gluconate namespace: chebi_ontology def: "The conjugate base of 2-dehydro-3-deoxy-D-gluconic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "177.040" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "177.13210" RELATED MASS [ChEBI] synonym: "2-dehydro-3-deoxy-D-gluconate" EXACT [UniProt] synonym: "2-dehydro-3-deoxy-D-gluconate anion" RELATED [ChEBI] synonym: "2-dehydro-3-deoxy-D-gluconate(1-)" RELATED [ChEBI] synonym: "3-deoxy-D-erythro-hex-2-ulosonate" EXACT IUPAC_NAME [IUPAC] synonym: "C6H9O6" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/p-1/t3-,5+/m0/s1" RELATED InChI [ChEBI] synonym: "OC[C@@H](O)[C@@H](O)CC(=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "WPAMZTWLKIDIOP-WVZVXSGGSA-M" RELATED InChIKey [ChEBI] xref: PMID:16794308 "Europe PMC" xref: Reaxys:6697389 "Reaxys" is_a: CHEBI:33721 ! carbohydrate acid anion is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:17032 ! 2-dehydro-3-deoxy-D-gluconic acid [Term] id: CHEBI:58001 name: primary aliphatic ammonium ion namespace: chebi_ontology def: "The conjugate acid of a primary aliphatic amine." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "31.042" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "31.05710" RELATED MASS [ChEBI] synonym: "[NH3+]C[*]" RELATED SMILES [ChEBI] synonym: "an aliphatic amine" RELATED [UniProt] synonym: "CH5NR" RELATED FORMULA [ChEBI] synonym: "primary aliphatic ammonium cation" RELATED [ChEBI] synonym: "primary aliphatic ammonium cations" RELATED [ChEBI] synonym: "primary aliphatic ammonium ions" RELATED [ChEBI] is_a: CHEBI:65296 ! primary ammonium ion relationship: is_conjugate_acid_of CHEBI:17062 ! primary aliphatic amine [Term] id: CHEBI:58007 name: streptomycin(3+) namespace: chebi_ontology def: "Trication of streptomycin arising from protonation of the guanidino and secondary amino groups." [] subset: 3_STAR synonym: "(1R,2R,3S,4R,5R,6S)-2,4-bis{[amino(iminio)methyl]amino}-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranoside" EXACT IUPAC_NAME [IUPAC] synonym: "+3" RELATED CHARGE [ChEBI] synonym: "584.289" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "584.59790" RELATED MASS [ChEBI] synonym: "C21H42N7O12" RELATED FORMULA [ChEBI] synonym: "C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+]" RELATED SMILES [ChEBI] synonym: "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/p+3/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" RELATED InChI [ChEBI] synonym: "streptomycin" RELATED [UniProt] synonym: "streptomycin trication" RELATED [ChEBI] synonym: "UCSJYZPVAKXKNQ-HZYVHMACSA-Q" RELATED InChIKey [ChEBI] is_a: CHEBI:60251 ! guanidinium ion relationship: is_conjugate_acid_of CHEBI:17076 ! streptomycin [Term] id: CHEBI:58032 name: anhydrotetracycline zwitterion namespace: chebi_ontology def: "Zwitterionic form of anhydrotetracycline arising from transfer of a proton from the 2-hydroxy to the tertiary amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(1S,4aS,12aS)-3-carbamoyl-1-(dimethylammonio)-4a,6,7-trihydroxy-11-methyl-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "426.143" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "426.41930" RELATED MASS [ChEBI] synonym: "[H][C@@]12Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C" RELATED SMILES [ChEBI] synonym: "anhydrotetracycline" RELATED [UniProt] synonym: "C22H22N2O7" RELATED FORMULA [ChEBI] synonym: "CXCVEERYMJZMMM-DOCRCCHOSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1" RELATED InChI [ChEBI] is_a: CHEBI:27369 ! zwitterion relationship: is_tautomer_of CHEBI:17146 ! anhydrotetracycline [Term] id: CHEBI:58043 name: nucleoside 5'-monophosphate(2-) namespace: chebi_ontology alt_id: CHEBI:85513 def: "The dianion of a nucleoside monophosphate: major species at pH 7.3." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "211.001" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "211.08660" RELATED MASS [ChEBI] synonym: "5'-ribonucleotide(2-)" RELATED [ChEBI] synonym: "a ribonucleoside 5'-phosphate" RELATED [UniProt] synonym: "C5H8O7P" RELATED FORMULA [ChEBI] synonym: "C5H8O7PR" RELATED FORMULA [ChEBI] synonym: "nucleoside monophosphate anion" RELATED [ChEBI] synonym: "nucleoside monophosphate anions" RELATED [ChEBI] synonym: "nucleoside monophosphate dianion" RELATED [ChEBI] synonym: "nucleoside monophosphate dianions" RELATED [ChEBI] synonym: "O[C@@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H]1[*]" RELATED SMILES [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:17188 ! nucleoside 5'-monophosphate [Term] id: CHEBI:58048 name: L-asparagine zwitterion namespace: chebi_ontology def: "Zwitterionic form of L-asparagine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-carbamoylpropanoate" RELATED [ChEBI] synonym: "(2S)-2-azaniumyl-3-carbamoylpropanoate" RELATED [ChEBI] synonym: "(2S)-4-amino-2-ammonio-4-oxobutanoate" RELATED [ChEBI] synonym: "(2S)-4-amino-2-azaniumyl-4-oxobutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "132.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.11790" RELATED MASS [ChEBI] synonym: "C4H8N2O3" RELATED FORMULA [ChEBI] synonym: "DCXYFEDJOCDNAF-REOHCLBHSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "L-asparagine" RELATED [UniProt] synonym: "NC(=O)C[C@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] xref: MetaCyc:ASN is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:17196 ! L-asparagine [Term] id: CHEBI:58065 name: homocysteine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion of homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "135.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "135.18500" RELATED MASS [ChEBI] synonym: "2-ammonio-4-sulfanylbutanoate" RELATED [ChEBI] synonym: "2-azaniumyl-4-sulfanylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "[NH3+]C(CCS)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C4H9NO2S" RELATED FORMULA [ChEBI] synonym: "FFFHZYDWPBMWHY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)" RELATED InChI [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_tautomer_of CHEBI:17230 ! homocysteine [Term] id: CHEBI:58093 name: homoserinium lactone namespace: chebi_ontology def: "The conjugate acid of homoserine lactone; major species at pH 7.3." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "102.056" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "102.11180" RELATED MASS [ChEBI] synonym: "2-oxooxolan-3-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxotetrahydrofuran-3-aminium" RELATED [IUPAC] synonym: "[NH3+]C1CCOC1=O" RELATED SMILES [ChEBI] synonym: "C4H8NO2" RELATED FORMULA [ChEBI] synonym: "homoserinium lactone cation" RELATED [ChEBI] synonym: "homoserinium lactone(1+)" RELATED [ChEBI] synonym: "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/p+1" RELATED InChI [ChEBI] synonym: "QJPWUUJVYOJNMH-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:17289 ! homoserine lactone [Term] id: CHEBI:58104 name: nucleoside triphosphate(3-) namespace: chebi_ontology def: "Trianion of nucleoside triphosphate arising from deprotonation of three of the four free triphosphate OH groups; major species at pH 7.3." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "369.926" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "385.07300" RELATED MASS [ChEBI] synonym: "C5H9O13P3R" RELATED FORMULA [ChEBI] synonym: "C[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "NTP trianion" RELATED [ChEBI] synonym: "NTP(3-)" RELATED [ChEBI] synonym: "nucleoside triphosphate trianion" RELATED [ChEBI] synonym: "ribonucleoside triphosphate trianion" RELATED [ChEBI] synonym: "ribonucleoside triphosphate(3-)" RELATED [ChEBI] is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion relationship: is_conjugate_acid_of CHEBI:61557 ! nucleoside triphosphate(4-) relationship: is_conjugate_base_of CHEBI:17326 ! nucleoside triphosphate [Term] id: CHEBI:58165 name: 3',5'-cyclic AMP(1-) namespace: chebi_ontology def: "An organophosphate oxoanion that is the conjugate base of 3',5'-cyclic AMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "3',5'-cyclic AMP" RELATED [UniProt] synonym: "3',5'-cyclic AMP anion" RELATED [ChEBI] synonym: "328.045" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "328.19800" RELATED MASS [ChEBI] synonym: "adenosine 3',5'-cyclic monophosphate" RELATED [ChEBI] synonym: "adenosine 3',5'-cyclic monophosphate anion" RELATED [ChEBI] synonym: "adenosine 3',5'-cyclic monophosphate(1-)" RELATED [ChEBI] synonym: "adenosine 3',5'-phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "C10H11N5O6P" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "IVOMOUWHDPKRLL-KQYNXXCUSA-M" RELATED InChIKey [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O" RELATED SMILES [ChEBI] xref: PMID:7870041 "Europe PMC" xref: PMID:7870042 "Europe PMC" xref: Reaxys:3720459 "Reaxys" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17489 ! 3',5'-cyclic AMP [Term] id: CHEBI:58199 name: L-homocysteine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-homocysteine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-azaniumyl-4-sulfanylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "135.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "135.18500" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H](CCS)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C4H9NO2S" RELATED FORMULA [ChEBI] synonym: "FFFHZYDWPBMWHY-VKHMYHEASA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-homocysteine" RELATED [UniProt] xref: MetaCyc:HOMO-CYS is_a: CHEBI:35238 ! amino acid zwitterion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_tautomer_of CHEBI:17588 ! L-homocysteine [Term] id: CHEBI:58214 name: kanamycin A(4+) namespace: chebi_ontology def: "A quadruply-charged organic cation arising from protonation of the four amino groups of kanamycin A; major species at pH 7.3." [] subset: 3_STAR synonym: "(1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-(6-azaniumyl-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "+4" RELATED CHARGE [ChEBI] synonym: "488.269" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "488.53040" RELATED MASS [ChEBI] synonym: "[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "C18H40N4O11" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1" RELATED InChI [ChEBI] synonym: "kanamycin A" RELATED [UniProt] synonym: "kanamycin A tetracation" RELATED [ChEBI] synonym: "SBUJHOSQTJFQJX-NOAMYHISSA-R" RELATED InChIKey [ChEBI] is_a: CHEBI:25697 ! organic cation relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:17630 ! kanamycin A [Term] id: CHEBI:58231 name: CTP(3-) namespace: chebi_ontology def: "A ribonucleoside triphosphate oxoanion arising from deprotonation of three of the four triphosphate OH groups of cytidine 5'-triphosphate; major species at pH 7.3." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "479.961" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "480.13250" RELATED MASS [ChEBI] synonym: "5'-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]cytidine" EXACT IUPAC_NAME [IUPAC] synonym: "C9H13N3O14P3" RELATED FORMULA [ChEBI] synonym: "CTP trianion" RELATED [ChEBI] synonym: "CTP(3-)" EXACT [UniProt] synonym: "cytidine 5'-triphosphate" RELATED [ChEBI] synonym: "cytidine 5'-triphosphate trianion" RELATED [ChEBI] synonym: "cytidine 5'-triphosphate(3-)" RELATED [ChEBI] synonym: "InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1" RELATED SMILES [ChEBI] synonym: "PCDQPRRSZKQHHS-XVFCMESISA-K" RELATED InChIKey [ChEBI] is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion relationship: is_conjugate_base_of CHEBI:17677 ! CTP [Term] id: CHEBI:58340 name: O-acetyl-L-serine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of O-acetyl-L-serine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-3-acetoxy-2-ammoniopropanoate" RELATED [IUPAC] synonym: "(2S)-3-acetoxy-2-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "147.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "147.12930" RELATED MASS [ChEBI] synonym: "C5H9NO4" RELATED FORMULA [ChEBI] synonym: "CC(=O)OC[C@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1" RELATED InChI [ChEBI] synonym: "O-acetyl-L-serine" RELATED [UniProt] synonym: "VZXPDPZARILFQX-BYPYZUCNSA-N" RELATED InChIKey [ChEBI] xref: MetaCyc:ACETYLSERINE is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:17981 ! O-acetyl-L-serine [Term] id: CHEBI:58342 name: acyl-CoA(4-) namespace: chebi_ontology def: "An acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of any acyl-CoA; major species at pH 7.3." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "790.071" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "790.50500" RELATED MASS [ChEBI] synonym: "an acyl-CoA" RELATED [UniProt] synonym: "C22H31N7O17P3SR" RELATED FORMULA [ChEBI] synonym: "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O" RELATED SMILES [ChEBI] is_a: CHEBI:58946 ! acyl-CoA oxoanion relationship: is_conjugate_base_of CHEBI:17984 ! acyl-CoA [Term] id: CHEBI:58359 name: L-glutamine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-glutamine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-5-amino-2-ammonio-5-oxopentanoate" RELATED [IUPAC] synonym: "(2S)-5-amino-2-azaniumyl-5-oxopentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "146.069" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "146.14450" RELATED MASS [ChEBI] synonym: "C5H10N2O3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-glutamine" RELATED [UniProt] synonym: "NC(=O)CC[C@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "ZDXPYRJPNDTMRX-VKHMYHEASA-N" RELATED InChIKey [ChEBI] xref: MetaCyc:GLN xref: PMID:17190852 "Europe PMC" is_a: CHEBI:62031 ! polar amino acid zwitterion relationship: has_role CHEBI:25212 ! metabolite relationship: is_tautomer_of CHEBI:18050 ! L-glutamine [Term] id: CHEBI:58389 name: trimethylammonium namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of trimethylamine, obtained via protonation of the nitrogen; major species at pH 7.3." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "60.081" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.11820" RELATED MASS [ChEBI] synonym: "C3H10N" RELATED FORMULA [ChEBI] synonym: "C[NH+](C)C" RELATED SMILES [ChEBI] synonym: "GETQZCLCWQTVFV-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C3H9N/c1-4(2)3/h1-3H3/p+1" RELATED InChI [ChEBI] synonym: "N,N-dimethylmethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "trimethylamine" RELATED [UniProt] synonym: "trimethylammonium cation" RELATED [ChEBI] synonym: "trimethylazanium" RELATED [ChEBI] synonym: "trimethylazanium cation" RELATED [ChEBI] xref: MetaCyc:TRIMETHYLAMINE xref: Reaxys:16709444 "Reaxys" is_a: CHEBI:35274 ! ammonium ion relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:18139 ! trimethylamine [Term] id: CHEBI:58395 name: myricetin(1-) namespace: chebi_ontology def: "A flavonol oxoanion that is the conjugate base of myricetin, arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "317.030" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "317.22720" RELATED MASS [ChEBI] synonym: "5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-olate" EXACT IUPAC_NAME [IUPAC] synonym: "C15H9O8" RELATED FORMULA [ChEBI] synonym: "IKMDFBPHZNJCSN-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H/p-1" RELATED InChI [ChEBI] synonym: "myricetin" RELATED [UniProt] synonym: "Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c([O-])c2=O" RELATED SMILES [ChEBI] xref: Beilstein:3710398 "Beilstein" xref: MetaCyc:MYRICETIN is_a: CHEBI:58588 ! flavonol oxoanion relationship: is_conjugate_base_of CHEBI:18152 ! myricetin [Term] id: CHEBI:58429 name: alpha,alpha-trehalose 6-phosphate(2-) namespace: chebi_ontology def: "Dianion of alpha,alpha-trehalose 6-phosphate." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "420.067" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "420.26050" RELATED MASS [ChEBI] synonym: "alpha,alpha-trehalose 6-phosphate" RELATED [UniProt] synonym: "alpha-D-glucopyranosyl 6-O-phosphonato-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "C12H21O14P" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1" RELATED InChI [ChEBI] synonym: "LABSPYBHMPDTEL-LIZSDCNHSA-L" RELATED InChIKey [ChEBI] synonym: "OC[C@H]1O[C@H](O[C@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] xref: Beilstein:3744918 "Beilstein" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_functional_parent CHEBI:16551 ! alpha,alpha-trehalose relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:18283 ! alpha,alpha-trehalose 6-phosphate [Term] id: CHEBI:58432 name: histaminium namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "112.087" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "112.15300" RELATED MASS [ChEBI] synonym: "2-(1H-imidazol-4-yl)ethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "[NH3+]CCc1c[nH]cn1" RELATED SMILES [ChEBI] synonym: "C5H10N3" RELATED FORMULA [ChEBI] synonym: "histamine" RELATED [UniProt] synonym: "histaminium cation" RELATED [ChEBI] synonym: "InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1" RELATED InChI [ChEBI] synonym: "NTYJJOPFIAHURM-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:35274 ! ammonium ion relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:18295 ! histamine [Term] id: CHEBI:58464 name: nucleoside 3',5'-cyclic phosphate anion namespace: chebi_ontology def: "The conjugate base of a nucleoside 3',5'-cyclic phosphate." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "176.995" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "177.07190" RELATED MASS [ChEBI] synonym: "[O-]P1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1" RELATED SMILES [ChEBI] synonym: "a nucleoside 3',5'-cyclic phosphate" RELATED [UniProt] synonym: "C5H6O5PR2" RELATED FORMULA [ChEBI] synonym: "nucleoside 3',5'-cyclic phosphate anions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:18375 ! nucleoside 3',5'-cyclic phosphate [Term] id: CHEBI:58549 name: kanamycin B(5+) namespace: chebi_ontology def: "An organic cation that is the pentacation of kanamycin B, obtained by protonation of the primary amino groups." [] subset: 3_STAR synonym: "(1R,2S,3S,4R,6S)-4,6-diammmonio-3-(3-ammonio-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diammmonio-2,6-dideoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "+5" RELATED CHARGE [ChEBI] synonym: "488.293" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "488.55360" RELATED MASS [ChEBI] synonym: "[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "C18H42N5O10" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/p+5/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1" RELATED InChI [ChEBI] synonym: "kanamycin B" RELATED [UniProt] synonym: "SKKLOUVUUNMCJE-FQSMHNGLSA-S" RELATED InChIKey [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:28098 ! kanamycin B [Term] id: CHEBI:58588 name: flavonol oxoanion namespace: chebi_ontology def: "The conjugate base of a flavonol compound." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "232.016" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "232.19050" RELATED MASS [ChEBI] synonym: "[O-]c1c(oc2cc([*])cc([*])c2c1=O)-c1cc([*])c([*])c([*])c1" RELATED SMILES [ChEBI] synonym: "a flavonol oxoanion" RELATED [UniProt] synonym: "C15H4O3R5" RELATED FORMULA [ChEBI] synonym: "flavonolate" RELATED [ChEBI] xref: MetaCyc:Flavonols is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:28802 ! flavonols [Term] id: CHEBI:58633 name: L-homoserine lactone(1+) namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the amino group of L-homoserine lactone. The major species at pH 7.3." [] subset: 3_STAR synonym: "(3S)-2-oxotetrahydrofuran-3-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "+1" RELATED CHARGE [ChEBI] synonym: "102.056" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "102.11180" RELATED MASS [ChEBI] synonym: "[NH3+][C@H]1CCOC1=O" RELATED SMILES [ChEBI] synonym: "C4H8NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/p+1/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-homoserine lactone" RELATED [UniProt] synonym: "QJPWUUJVYOJNMH-VKHMYHEASA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:30655 ! L-homoserine lactone [Term] id: CHEBI:58722 name: N-acetylmuramate 6-phosphate namespace: chebi_ontology def: "An organophosphate oxoanion that is a trianion arising from deprotonation of the phosphate and carboxylic acid functions of N-acetylmuramic acid 6-phosphate." [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-6-O-phosphonato-D-glucopyranose" RELATED [IUPAC] synonym: "2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose 6-phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "370.054" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "370.22650" RELATED MASS [ChEBI] synonym: "C11H17NO11P" RELATED FORMULA [ChEBI] synonym: "C[C@@H](O[C@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)OC(O)[C@@H]1NC(C)=O)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/p-3/t4-,6-,7-,8-,9-,11?/m1/s1" RELATED InChI [ChEBI] synonym: "N-acetyl-D-muramate 6-phosphate" RELATED [UniProt] synonym: "NMEMTQKUEVNSPV-MKFCKLDKSA-K" RELATED InChIKey [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:58945 ! organophosphate oxoanion is_a: CHEBI:63551 ! carbohydrate acid derivative anion relationship: is_conjugate_base_of CHEBI:47968 ! N-acetylmuramic acid 6-phosphate [Term] id: CHEBI:58805 name: c-di-GMP(2-) namespace: chebi_ontology def: "Dianion of cyclic di-3',5'-guanylic acid." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "688.079" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "688.39480" RELATED MASS [ChEBI] synonym: "C20H22N10O14P2" RELATED FORMULA [ChEBI] synonym: "cyclic di-3',5'-guanylate" RELATED [UniProt] synonym: "cyclic di-3',5'-guanylate" RELATED [ChEBI] synonym: "cyclic di-3',5'-guanylate dianion" RELATED [ChEBI] synonym: "InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/p-2/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@@H]3[C@@H](COP([O-])(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c1nc(N)[nH]c2=O" RELATED SMILES [ChEBI] synonym: "PKFDLKSEZWEFGL-MHARETSRSA-L" RELATED InChIKey [ChEBI] xref: Beilstein:9981635 "Beilstein" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:49537 ! c-di-GMP [Term] id: CHEBI:58945 name: organophosphate oxoanion namespace: chebi_ontology def: "An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated." [] subset: 3_STAR synonym: "organophosphate oxoanions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:26079 ! phosphoric acid derivative [Term] id: CHEBI:58946 name: acyl-CoA oxoanion namespace: chebi_ontology def: "Any acyl coenzyme A thioester in which one or more of the phosphate and/or diphosphate groups has been deprotonated." [] subset: 3_STAR synonym: "acyl-CoA oxoanions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion [Term] id: CHEBI:58951 name: short-chain fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6)." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "a short-chain fatty acid" RELATED [UniProt] synonym: "CO2R" RELATED FORMULA [ChEBI] synonym: "short-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:26666 ! short-chain fatty acid [Term] id: CHEBI:58953 name: saturated fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion in which there is no C-C unsaturation." [] subset: 3_STAR synonym: "a saturated fatty acid" RELATED [UniProt] synonym: "saturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion [Term] id: CHEBI:58954 name: straight-chain saturated fatty acid anion namespace: chebi_ontology def: "Any saturated fatty acid anion lacking a carbon side-chain." [] subset: 3_STAR synonym: "straight-chain saturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:58953 ! saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:39418 ! straight-chain saturated fatty acid [Term] id: CHEBI:59062 name: polymyxin namespace: chebi_ontology def: "Polymyxins are antibiotics with a general structure consisting of a cyclic peptide with a long hydrophobic tail. They disrupt the structure of the bacterial cell membrane by interacting with its phospholipids. Polymyxins are produced by the Gram-positive bacterium Bacillus polymyxa and are selectively toxic for Gram-negative bacteria." [] subset: 3_STAR synonym: "polymixin" RELATED [ChEBI] synonym: "polymycin" RELATED [ChEBI] synonym: "polymyxins" RELATED [ChEBI] is_a: CHEBI:24533 ! heterodetic cyclic peptide is_a: CHEBI:46895 ! lipopeptide relationship: has_role CHEBI:33282 ! antibacterial agent [Term] id: CHEBI:59063 name: polymyxin B2 namespace: chebi_ontology def: "A polymyxin having a 6-methylheptanoyl group at the amino terminus." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1188.734" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "1189.45010" RELATED MASS [ChEBI] synonym: "4,10-anhydro[N-(6-methylheptanoyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-phenylalanyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine]" EXACT IUPAC_NAME [IUPAC] synonym: "C55H96N16O13" RELATED FORMULA [ChEBI] synonym: "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C55H96N16O13/c1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78/h7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79)/t32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1" RELATED InChI [ChEBI] synonym: "SGPYLFWAQBAXCZ-RUDZPDEXSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:8185631 "Beilstein" xref: CAS:1404-26-8 "KEGG COMPOUND" xref: KEGG:C11612 xref: KEGG:D08401 xref: LIPID_MAPS_instance:LMPK14000008 "LIPID MAPS" xref: PMID:13058849 "Europe PMC" is_a: CHEBI:59062 ! polymyxin [Term] id: CHEBI:59163 name: biomarker namespace: chebi_ontology def: "A substance used as an indicator of a biological state." [] subset: 3_STAR synonym: "biological marker" RELATED [ChEBI] is_a: CHEBI:47867 ! indicator [Term] id: CHEBI:59174 name: hapten namespace: chebi_ontology def: "Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals." [] subset: 3_STAR synonym: "haptens" RELATED [ChEBI] xref: PMID:17875790 "Europe PMC" xref: PMID:17986299 "Europe PMC" xref: PMID:19101624 "Europe PMC" xref: PMID:291959 "Europe PMC" xref: PMID:3782019 "Europe PMC" is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:59202 name: straight-chain fatty acid namespace: chebi_ontology def: "Any fatty acid whose skeletal carbon atoms form an unbranched open chain." [] subset: 3_STAR synonym: "straight-chain fatty acids" RELATED [ChEBI] is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:59203 ! straight-chain fatty acid anion [Term] id: CHEBI:59203 name: straight-chain fatty acid anion namespace: chebi_ontology def: "A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid." [] subset: 3_STAR synonym: "straight-chain FA anion" RELATED [ChEBI] synonym: "straight-chain FA anions" RELATED [ChEBI] synonym: "straight-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:59202 ! straight-chain fatty acid [Term] id: CHEBI:59517 name: DNA synthesis inhibitor namespace: chebi_ontology def: "Any substance that inhibits the synthesis of DNA." [] subset: 3_STAR synonym: "DNA synthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:59554 name: medium-chain fatty acid namespace: chebi_ontology def: "Any fatty acid with a chain length of between C6 and C12." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "44.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "45.01740" RELATED MASS [ChEBI] synonym: "CHO2R" RELATED FORMULA [ChEBI] synonym: "MCFA" RELATED [ChEBI] synonym: "MCFAs" RELATED [ChEBI] synonym: "medium-chain fatty acids" RELATED [ChEBI] synonym: "OC([*])=O" RELATED SMILES [ChEBI] is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:59558 ! medium-chain fatty acid anion [Term] id: CHEBI:59558 name: medium-chain fatty acid anion namespace: chebi_ontology def: "A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "a medium chain fatty acid" RELATED [UniProt] synonym: "CO2R" RELATED FORMULA [ChEBI] synonym: "MCFA anion" RELATED [ChEBI] synonym: "MCFA anions" RELATED [ChEBI] synonym: "medium-chain FA anion" RELATED [ChEBI] synonym: "medium-chain FA anions" RELATED [ChEBI] synonym: "medium-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:59554 ! medium-chain fatty acid [Term] id: CHEBI:59561 name: diamino acid anion namespace: chebi_ontology def: "An organic anion that is the conjugate base of diamino acid." [] subset: 3_STAR synonym: "diamino acid anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:35987 ! diamino acid [Term] id: CHEBI:59640 name: N-acetylglucosamine namespace: chebi_ontology def: "An N-acylglucosamine where the N-acyl group is specified as acetyl." [] subset: 3_STAR synonym: "N-acetylglucosamines" RELATED [ChEBI] xref: PMID:18499511 "Europe PMC" is_a: CHEBI:21638 ! N-acylglucosamine relationship: has_role CHEBI:78366 ! EC 2.7.1.1 (hexokinase) inhibitor property_value: MCO:0000190 "GlcNAc" xsd:string [Term] id: CHEBI:59644 name: oxo fatty acid namespace: chebi_ontology def: "Any fatty acid containing at least one aldehydic or ketonic group in addition to the carboxylic acid group." [] subset: 3_STAR synonym: "oxo fatty acids" RELATED [ChEBI] xref: PMID:6434570 "Europe PMC" xref: PMID:8454196 "Europe PMC" xref: PMID:8638935 "Europe PMC" is_a: CHEBI:25754 ! oxo carboxylic acid is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:59683 name: antipruritic drug namespace: chebi_ontology def: "A drug, usually applied topically, that relieves pruritus (itching)." [] subset: 3_STAR synonym: "anti-itching drug" RELATED [ChEBI] synonym: "anti-itching drugs" RELATED [ChEBI] synonym: "antipruritic agent" RELATED [ChEBI] synonym: "antipruritic agents" RELATED [ChEBI] synonym: "antipruritic drugs" RELATED [ChEBI] is_a: CHEBI:50177 ! dermatologic drug [Term] id: CHEBI:59698 name: phosphoric acids namespace: chebi_ontology def: "Compounds containing one or more phosphoric acid units." [] subset: 3_STAR is_a: CHEBI:33457 ! phosphorus oxoacid [Term] id: CHEBI:59724 name: ribonucleoside triphosphate oxoanion namespace: chebi_ontology def: "An organophosphate anion resulting from deprotonation of at least one of the acidic hydroxy groups from the triphosphate moiety of a nucleoside triphosphate." [] subset: 3_STAR synonym: "ribonucleoside triphosphate anion" RELATED [ChEBI] synonym: "ribonucleoside triphosphate anions" RELATED [ChEBI] synonym: "ribonucleoside triphosphate oxoanions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion [Term] id: CHEBI:59740 name: nucleophilic reagent namespace: chebi_ontology def: "A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons." [] subset: 3_STAR synonym: "nucleophile" RELATED [ChEBI] synonym: "nucleophiles" RELATED [ChEBI] synonym: "nucleophilic reagents" RELATED [ChEBI] is_a: CHEBI:33893 ! reagent is_a: CHEBI:39144 ! Lewis base [Term] id: CHEBI:5975 name: iron chelate namespace: chebi_ontology subset: 2_STAR synonym: "Iron chelate" EXACT [KEGG_COMPOUND] xref: KEGG:C06704 is_a: CHEBI:33892 ! iron coordination entity [Term] id: CHEBI:59769 name: acetal namespace: chebi_ontology def: "An organooxygen compound having the structure RR'C(OR'')(OR''') (R'', R''' =/= H). Mixed acetals have R'' and R''' groups which differ." [] subset: 3_STAR synonym: "acetals" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:59770 name: cyclic acetal namespace: chebi_ontology def: "An acetal in the molecule of which the acetal carbon and one or both oxygen atoms thereon are members of a ring." [] subset: 3_STAR synonym: "cyclic acetals" RELATED [ChEBI] is_a: CHEBI:59769 ! acetal [Term] id: CHEBI:59772 name: hemiketal namespace: chebi_ontology def: "A hemiacetal having the structure RR'C(OH)R'' (R, R', R'' =/= H), derived from a ketone by formal addition of an alcohol to the carbonyl group." [] subset: 3_STAR synonym: "hemiketals" RELATED [ChEBI] is_a: CHEBI:5653 ! hemiacetal [Term] id: CHEBI:59777 name: ketal namespace: chebi_ontology def: "An acetal of formula R2C(OR)2 (R =/= H) derived from a ketone by replacement of the oxo group by two hydrocarbyloxy groups. The class name 'ketals', once abandoned by IUPAC, has been reinstated as a subclass of acetals." [] subset: 3_STAR synonym: "ketals" RELATED [ChEBI] is_a: CHEBI:59769 ! acetal [Term] id: CHEBI:59779 name: cyclic ketal namespace: chebi_ontology def: "A ketal in the molecule of which the ketal carbon and one or both oxygen atoms thereon are members of a ring." [] subset: 3_STAR synonym: "cyclic ketals" RELATED [ChEBI] is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:59777 ! ketal [Term] id: CHEBI:59780 name: cyclic hemiketal namespace: chebi_ontology def: "A hemiacetal having the structure R2C(OH)OR (R =/= H), derived from a ketone by formal addition of an alcohol to the carbonyl group. The term 'cyclic hemiketals', once abandoned by IUPAC, has been reinstated as a subclass of hemiacetals." [] subset: 3_STAR synonym: "cyclic hemiketals" RELATED [ChEBI] is_a: CHEBI:38131 ! lactol is_a: CHEBI:59772 ! hemiketal [Term] id: CHEBI:59789 name: S-adenosyl-L-methionine zwitterion namespace: chebi_ontology def: "A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "399.145" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "399.44500" RELATED MASS [ChEBI] synonym: "[(3S)-3-azaniumyl-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium" EXACT IUPAC_NAME [IUPAC] synonym: "C15H23N6O5S" RELATED FORMULA [ChEBI] synonym: "C[S+](CC[C@H]([NH3+])C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12" RELATED SMILES [ChEBI] synonym: "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1" RELATED InChI [ChEBI] synonym: "MEFKEPWMEQBLKI-AIRLBKTGSA-O" RELATED InChIKey [ChEBI] synonym: "S-adenosyl-L-methionine" RELATED [UniProt] synonym: "S-adenosyl-L-methionine" RELATED [SUBMITTER] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:26830 ! sulfonium compound relationship: is_tautomer_of CHEBI:15414 ! S-adenosyl-L-methionine [Term] id: CHEBI:59792 name: thioacetal namespace: chebi_ontology def: "The sulfur analogue of 'acetal'. The term includes monothioacetals having the structure R2C(OR')(SR') (subclass monothioketals, R =/= H); and dithioacetals having the structure R2C(SR')2 (subclass dithioketals, R =/= H, R' =/= H)." [] subset: 3_STAR synonym: "thioacetals" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:59793 name: monothioacetal namespace: chebi_ontology def: "A thioacetal having the structure R2C(OR')(SR'). The term includes monothioketals, R =/= H, as a subclass." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "59.967" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.07500" RELATED MASS [ChEBI] synonym: "[*]OC([*])([*])S[*]" RELATED SMILES [ChEBI] synonym: "COSR4" RELATED FORMULA [ChEBI] synonym: "monothioacetals" RELATED [ChEBI] synonym: "thioacetal" RELATED [ChEBI] is_a: CHEBI:59792 ! thioacetal [Term] id: CHEBI:59814 name: L-alpha-amino acid anion namespace: chebi_ontology def: "Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "73.016" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "88.08520" RELATED MASS [ChEBI] synonym: "C2H3NO2R" RELATED FORMULA [ChEBI] synonym: "C[C@H](N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "L-alpha-amino carboxylate" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:15705 ! L-alpha-amino acid [Term] id: CHEBI:59826 name: progestin namespace: chebi_ontology def: "A synthetic progestogen." [] subset: 3_STAR synonym: "progestins" RELATED [ChEBI] xref: Wikipedia:Progestin is_a: CHEBI:50745 ! progestogen [Term] id: CHEBI:59836 name: oxo fatty acid anion namespace: chebi_ontology def: "A fatty acid anion carrying one or more oxo substituents" [] subset: 3_STAR synonym: "oxo fatty acid anions" RELATED [ChEBI] synonym: "oxo-FA anion" RELATED [ChEBI] synonym: "oxo-FA anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion [Term] id: CHEBI:59869 name: L-alpha-amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[NH3+][C@@H]([*])C([O-])=O" RELATED SMILES [ChEBI] synonym: "an L-alpha-amino acid" RELATED [UniProt] synonym: "C2H4NO2R" RELATED FORMULA [ChEBI] synonym: "L-alpha-amino acid zwitterions" RELATED [ChEBI] is_a: CHEBI:78608 ! alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:15705 ! L-alpha-amino acid [Term] id: CHEBI:59871 name: D-alpha-amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[NH3+][C@H]([*])C([O-])=O" RELATED SMILES [ChEBI] synonym: "a D-amino acid" RELATED [UniProt] synonym: "C2H4NO2R" RELATED FORMULA [ChEBI] synonym: "D-alpha-amino acid zwitterions" RELATED [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16733 ! D-alpha-amino acid [Term] id: CHEBI:59876 name: N-acyl-D-alpha-amino acid anion namespace: chebi_ontology def: "The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "100.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "100.05290" RELATED MASS [ChEBI] synonym: "[O-]C(=O)[C@@H]([*])NC([*])=O" RELATED SMILES [ChEBI] synonym: "a N-acyl-D-amino acid" RELATED [UniProt] synonym: "C3H2NO3R2" RELATED FORMULA [ChEBI] synonym: "N-acyl-D-alpha-amino acid(1-)" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:15778 ! N-acyl-D-amino acid [Term] id: CHEBI:59999 name: chemical substance namespace: chebi_ontology def: "A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types." [] subset: 3_STAR synonym: "Chemische Substanz" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:60004 name: mixture namespace: chebi_ontology def: "A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind." [] subset: 3_STAR synonym: "Mischung" RELATED [ChEBI] is_a: CHEBI:59999 ! chemical substance property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:60027 name: polymer namespace: chebi_ontology def: "A polymer is a mixture, which is composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc.." [] subset: 3_STAR synonym: "Kunststoff" RELATED [ChEBI] synonym: "Polymer" EXACT [ChEBI] xref: Wikipedia:Polymer is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:33839 ! macromolecule [Term] id: CHEBI:60038 name: flavonoid oxoanion namespace: chebi_ontology def: "Any anion arising from deprotonation of at least one OH group in a flavonoid compound." [] subset: 3_STAR synonym: "flavonoid oxoanions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:60073 name: N-acylneuraminate namespace: chebi_ontology def: "A sialic acid anion arising from deprotonation of the carboxy group of an N-acylneuraminic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "293.075" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "293.22740" RELATED MASS [ChEBI] synonym: "5-alkanamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC([*])=O)C([O-])=O)[C@H](O)[C@H](O)CO" RELATED SMILES [ChEBI] synonym: "an N-acylneuraminate" RELATED [UniProt] synonym: "C10H15NO9R" RELATED FORMULA [ChEBI] synonym: "N-acylneuraminate cation" RELATED [ChEBI] is_a: CHEBI:62944 ! sialic acid anion relationship: is_conjugate_base_of CHEBI:16498 ! N-acylneuraminic acid [Term] id: CHEBI:60090 name: 7-hydroxyflavon-3-olate namespace: chebi_ontology def: "Conjugate base of a 7-hydroxyflavonol compound arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "249.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "249.19780" RELATED MASS [ChEBI] synonym: "a 7-O-hydroxy-flavonol" RELATED [UniProt] synonym: "C15H5O4R4" RELATED FORMULA [ChEBI] synonym: "Oc1cc([*])c2c(c1)oc(-c1cc([*])c([*])c([*])c1)c([O-])c2=O" RELATED SMILES [ChEBI] is_a: CHEBI:60038 ! flavonoid oxoanion relationship: is_conjugate_base_of CHEBI:52267 ! 7-hydroxyflavonol [Term] id: CHEBI:60173 name: purine deoxyribonucleoside namespace: chebi_ontology def: "A deoxyribonucleoside containing a purine base." [] subset: 3_STAR synonym: "purine deoxyribonucleosides" RELATED [ChEBI] is_a: CHEBI:23636 ! deoxyribonucleoside is_a: CHEBI:26394 ! purine nucleoside [Term] id: CHEBI:60240 name: divalent metal cation namespace: chebi_ontology def: "A metal cation with a valence of two." [] subset: 3_STAR synonym: "a divalent metal cation" RELATED [UniProt] is_a: CHEBI:25213 ! metal cation is_a: CHEBI:64641 ! divalent inorganic cation [Term] id: CHEBI:60242 name: monovalent inorganic cation namespace: chebi_ontology def: "An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one." [] subset: 3_STAR synonym: "a monovalent cation" RELATED [UniProt] is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:60248 name: nickel ion namespace: chebi_ontology def: "A nickel atom having a net electric charge." [] subset: 3_STAR is_a: CHEBI:36914 ! inorganic ion [Term] id: CHEBI:60249 name: lead ion namespace: chebi_ontology def: "A lead atom having a net electric charge." [] subset: 3_STAR is_a: CHEBI:36914 ! inorganic ion is_a: CHEBI:37193 ! elemental lead [Term] id: CHEBI:60251 name: guanidinium ion namespace: chebi_ontology def: "R = C or H. The iminium ion resulting from the protonation of one of the imine nitrogens of guanidine or its derivatives." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "130.21130" RELATED MASS [ChEBI] synonym: "55.017" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[H][N+](C)=C(N(C)C)N(C)C" RELATED SMILES [ChEBI] synonym: "CHN3R5" RELATED FORMULA [ChEBI] synonym: "diaminomethaniminium ion" RELATED [ChEBI] synonym: "diaminomethaniminium ions" RELATED [ChEBI] synonym: "guanidinium ions" RELATED [ChEBI] is_a: CHEBI:35286 ! iminium ion [Term] id: CHEBI:60252 name: lead cation namespace: chebi_ontology def: "A lead atom having a positive net electric charge." [] subset: 3_STAR is_a: CHEBI:25213 ! metal cation is_a: CHEBI:60249 ! lead ion [Term] id: CHEBI:60255 name: puromycin(1+) namespace: chebi_ontology def: "Puromycin monoprotonated at the amino nitrogen. It is the predominant species at pH 7.3." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "3'-{[(2S)-2-ammonio-3-(4-methoxyphenyl)propanoyl]amino}-3'-deoxy-N,N-dimethyladenosine" RELATED [IUPAC] synonym: "3'-{[(2S)-2-azaniumyl-3-(4-methoxyphenyl)propanoyl]amino}-3'-deoxy-N,N-dimethyladenosine" EXACT IUPAC_NAME [IUPAC] synonym: "472.231" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "472.51750" RELATED MASS [ChEBI] synonym: "C22H30N7O5" RELATED FORMULA [ChEBI] synonym: "COc1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1" RELATED SMILES [ChEBI] synonym: "InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/p+1/t14-,15+,16+,18+,22+/m0/s1" RELATED InChI [ChEBI] synonym: "puromycin" RELATED [UniProt] synonym: "RXWNCPJZOCPEPQ-NVWDDTSBSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:17939 ! puromycin [Term] id: CHEBI:60258 name: EC 3.4.* (hydrolases acting on peptide bond) inhibitor namespace: chebi_ontology alt_id: CHEBI:76763 def: "A hydrolase inhibitor that interferes with the action of any hydrolase acting on peptide bonds (peptidase), EC 3.4.*.*)." [] subset: 3_STAR synonym: "EC 3.4.* (hydrolase acting on peptide bond) inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* (hydrolase acting on peptide bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* (hydrolases acting on peptide bond) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* (peptidase) inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* (peptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of hydrolases acting on peptide bond (EC 3.4.*)" RELATED [ChEBI] synonym: "inhibitors of hydrolases acting on peptide bond (EC 3.4.*)" RELATED [ChEBI] synonym: "peptidase inhibitors" RELATED [ChEBI] synonym: "protease inhibitor" RELATED [ChEBI] synonym: "protease inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:60334 name: peptide anion namespace: chebi_ontology def: "An anion formed by deprotonation of at least one peptide carboxy group." [] subset: 3_STAR synonym: "peptide anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:60466 name: peptide zwitterion namespace: chebi_ontology def: "Zwitterionic form of any peptide where the amino terminus is positively charged and the carboxy terminus is negatively charged." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "C2H4NO2R(C2H2NOR)n" RELATED FORMULA [ChEBI] synonym: "peptide zwitterions" RELATED [ChEBI] is_a: CHEBI:27369 ! zwitterion relationship: is_tautomer_of CHEBI:16670 ! peptide [Term] id: CHEBI:60584 name: bicozamycin namespace: chebi_ontology alt_id: CHEBI:3091 def: "A commercially important azabicyclic antibiotic obtained from Streptomyces sapporonensis. It inhibits the Rho protein of E. coli." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "302.111" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "302.28050" RELATED MASS [ChEBI] synonym: "aizumycin" RELATED [SUBMITTER] synonym: "bicozamicina" RELATED INN [ChemIDplus] synonym: "Bicozamycin" EXACT [KEGG_COMPOUND] synonym: "bicozamycin" RELATED INN [ChemIDplus] synonym: "bicozamycine" RELATED INN [ChemIDplus] synonym: "bicozamycinum" RELATED INN [ChemIDplus] synonym: "Bicyclomycin" RELATED [KEGG_COMPOUND] synonym: "C12H18N2O7" RELATED FORMULA [KEGG_COMPOUND] synonym: "C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2" RELATED SMILES [ChEBI] synonym: "InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1" RELATED InChI [ChEBI] synonym: "WOUDXEYYJPOSNE-VKZDFBPFSA-N" RELATED InChIKey [ChEBI] xref: CAS:38129-37-2 "KEGG COMPOUND" xref: colombos:BICYCLOMYCIN xref: KEGG:C11259 xref: KNApSAcK:C00018850 xref: Reaxys:566286 "Reaxys" is_a: CHEBI:35990 ! bridged compound is_a: CHEBI:38295 ! azabicycloalkane relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:55323 ! antidiarrhoeal drug [Term] id: CHEBI:60643 name: NMDA receptor antagonist namespace: chebi_ontology alt_id: CHEBI:60797 def: "Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs." [] subset: 3_STAR synonym: "N-methyl-D-aspartate receptor antagonist" RELATED [ChEBI] synonym: "N-methyl-D-aspartate receptor antagonists" RELATED [ChEBI] synonym: "NMDA receptor antagonists" RELATED [ChEBI] synonym: "NMDAR antagonist" RELATED [ChEBI] synonym: "NMDAR antagonists" RELATED [ChEBI] is_a: CHEBI:60798 ! excitatory amino acid antagonist [Term] id: CHEBI:60798 name: excitatory amino acid antagonist namespace: chebi_ontology def: "Any substance which inhibits the action of receptors for excitatory amino acids." [] subset: 3_STAR synonym: "EAA receptor antagonist" RELATED [ChEBI] synonym: "EAA receptor antagonists" RELATED [ChEBI] synonym: "excitatory amino acid antagonists" RELATED [ChEBI] synonym: "excitatory amino acid receptor antagonist" RELATED [ChEBI] synonym: "excitatory amino acid receptor antagonists" RELATED [ChEBI] is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:60809 name: adjuvant namespace: chebi_ontology def: "Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself." [] subset: 3_STAR synonym: "adjuvants" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:60895 name: D-alpha-amino acid anion namespace: chebi_ontology def: "Any alpha-amino acid anion in which the parent amino acid has D-configuration." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "73.016" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "88.08520" RELATED MASS [ChEBI] synonym: "C2H3NO2R" RELATED FORMULA [ChEBI] synonym: "C[C@@H](N)C([O-])=O" RELATED SMILES [ChEBI] synonym: "D-alpha-amino acid anions" RELATED [ChEBI] synonym: "D-alpha-amino carboxylate" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:16733 ! D-alpha-amino acid [Term] id: CHEBI:60911 name: racemate namespace: chebi_ontology def: "A racemate is an equimolar mixture of a pair of enantiomers." [] subset: 3_STAR synonym: "melange racemique" RELATED [ChEBI] synonym: "racemates" RELATED [ChEBI] synonym: "racemic mixture" RELATED [ChEBI] is_a: CHEBI:60004 ! mixture [Term] id: CHEBI:60926 name: amino monosaccharide namespace: chebi_ontology def: "Any amino sugar that is a monosaccharide in which one alcoholic hydroxy group is replaced by an amino group." [] subset: 3_STAR synonym: "amino monosaccharides" RELATED [ChEBI] is_a: CHEBI:28963 ! amino sugar [Term] id: CHEBI:61015 name: nephrotoxin namespace: chebi_ontology def: "A poison that interferes with the function of the kidneys." [] subset: 3_STAR synonym: "nephrotoxins" RELATED [ChEBI] is_a: CHEBI:64909 ! poison [Term] id: CHEBI:6104 name: kanamycin namespace: chebi_ontology def: "Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components." [] subset: 3_STAR synonym: "kanamicin" RELATED [ChEBI] synonym: "Kanamycin" EXACT [KEGG_COMPOUND] xref: Beilstein:8189165 "Beilstein" xref: Beilstein:8399726 "Beilstein" xref: CAS:8063-07-8 "KEGG COMPOUND" xref: colombos:KANAMYCIN xref: colombos:KANAMYCIN\:+UNKNOWNµg/ml xref: KEGG:C00304 is_a: CHEBI:24951 ! kanamycins relationship: has_part CHEBI:17630 ! kanamycin A relationship: has_part CHEBI:28098 ! kanamycin B relationship: has_part CHEBI:28185 ! kanamycin C relationship: has_part CHEBI:72797 ! kanamycin X relationship: has_part CHEBI:73079 ! kanamycin D [Term] id: CHEBI:61073 name: oxygen radical namespace: chebi_ontology def: "An inorganic radical in which a free electron resides on one or more oxygen atoms of an oxygen species." [] subset: 3_STAR synonym: "oxygen radicals" RELATED [ChEBI] is_a: CHEBI:26523 ! reactive oxygen species is_a: CHEBI:36871 ! inorganic radical [Term] id: CHEBI:61078 name: purine nucleoside bisphosphate namespace: chebi_ontology def: "A nucleoside bisphosphate that has a purine nucleobase." [] subset: 3_STAR synonym: "purine nucleoside bisphosphates" RELATED [ChEBI] is_a: CHEBI:26401 ! purines is_a: CHEBI:37123 ! nucleoside bisphosphate [Term] id: CHEBI:61079 name: ribonucleoside bisphosphate namespace: chebi_ontology def: "A nucleoside bisphosphate where sugar of the nucleoside is ribose." [] subset: 3_STAR synonym: "ribonucleoside bisphosphates" RELATED [ChEBI] is_a: CHEBI:37123 ! nucleoside bisphosphate [Term] id: CHEBI:61115 name: EC 3.5.1.98 (histone deacetylase) inhibitor namespace: chebi_ontology def: "An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98)." [] subset: 3_STAR synonym: "EC 3.5.1.98 (histone deacetylase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.98 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.98 inhibitors" RELATED [ChEBI] synonym: "HDAC inhibitor" RELATED [ChEBI] synonym: "HDAC inhibitors" RELATED [ChEBI] synonym: "HDACi" RELATED [ChEBI] synonym: "HDACis" RELATED [ChEBI] synonym: "HDI" RELATED [ChEBI] synonym: "HDIs" RELATED [ChEBI] synonym: "histone amidohydrolase inhibitor" RELATED [ChEBI] synonym: "histone amidohydrolase inhibitors" RELATED [ChEBI] synonym: "histone deacetylase (EC 3.5.1.98) inhibitor" RELATED [ChEBI] synonym: "histone deacetylase (EC 3.5.1.98) inhibitors" RELATED [ChEBI] synonym: "histone deacetylase inhibitor" RELATED [ChEBI] synonym: "histone deacetylase inhibitors" RELATED [ChEBI] xref: Wikipedia:Histone_deacetylase_inhibitor is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] id: CHEBI:61120 name: nucleobase-containing molecular entity namespace: chebi_ontology def: "Any compound that has a nucleobase as a part." [] subset: 3_STAR synonym: "nucleobase-containing compound" RELATED [SUBMITTER] synonym: "nucleobase-containing compounds" RELATED [ChEBI] synonym: "nucleobase-containing molecular entities" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_functional_parent CHEBI:18282 ! nucleobase [Term] id: CHEBI:61214 name: promethazine(1+) namespace: chebi_ontology def: "An ammonium ion that results from the protonation of the dimethyl-substituted nitrogen of promethazine." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "285.143" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "285.42700" RELATED MASS [ChEBI] synonym: "C17H21N2S" RELATED FORMULA [ChEBI] synonym: "CC(CN1c2ccccc2Sc2ccccc12)[NH+](C)C" RELATED SMILES [ChEBI] synonym: "InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1" RELATED InChI [ChEBI] synonym: "N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "promethazine cation" RELATED [ChEBI] synonym: "promethazinium" RELATED [ChEBI] synonym: "PWWVAXIEGOYWEE-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] xref: Reaxys:4263748 "Reaxys" is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:8461 ! promethazine [Term] id: CHEBI:61292 name: guanyl nucleotide namespace: chebi_ontology def: "A nucleotide having guanine as the base." [] subset: 3_STAR is_a: CHEBI:26395 ! purine nucleotide relationship: has_functional_parent CHEBI:16235 ! guanine [Term] id: CHEBI:61293 name: adenyl nucleotide namespace: chebi_ontology def: "A nucleotide having adenine as the base." [] subset: 3_STAR is_a: CHEBI:26395 ! purine nucleotide [Term] id: CHEBI:61295 name: guanyl ribonucleotide namespace: chebi_ontology def: "A purine ribonucleotide where the purine is guanine." [] subset: 3_STAR is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:61292 ! guanyl nucleotide [Term] id: CHEBI:61296 name: adenyl ribonucleotide namespace: chebi_ontology def: "A purine riboncleotide where adenine is the purine." [] subset: 3_STAR synonym: "adenine ribonucleotide" RELATED [SUBMITTER] is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:61293 ! adenyl nucleotide [Term] id: CHEBI:61297 name: adenyl deoxyribonucleotide namespace: chebi_ontology def: "A purine 2'-deoxyribonucleotide where the purine is adenine." [] subset: 3_STAR synonym: "adenine deoxyribonucleotide" RELATED [SUBMITTER] is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide is_a: CHEBI:61293 ! adenyl nucleotide [Term] id: CHEBI:61313 name: C21-steroid namespace: chebi_ontology def: "A steroid compound with a structure based on a 21-carbon (pregnane) skeleton." [] subset: 3_STAR is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:61336 name: C4-dicarboxylate namespace: chebi_ontology def: "A dicarboxylate that contains four carbon atoms." [] subset: 3_STAR is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: is_conjugate_base_of CHEBI:66873 ! C4-dicarboxylic acid [Term] id: CHEBI:61355 name: 3-hydroxy carboxylic acid namespace: chebi_ontology def: "Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group." [] subset: 3_STAR synonym: "3-hydroxy carboxylic acids" RELATED [ChEBI] synonym: "3-hydroxycarboxylic acid" RELATED [ChEBI] synonym: "3-hydroxycarboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxycarboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxycarboxylic acids" RELATED [ChEBI] is_a: CHEBI:24669 ! hydroxy carboxylic acid [Term] id: CHEBI:61404 name: dATP(4-) namespace: chebi_ontology def: "A 2'-deoxyribonucleoside 5'-triphosphate(4-) that is the tetraanion of 2'-deoxyadenosine 5'-triphosphate(dATP), arising from deprotonation of the four triphosphate OH groups; major species at pH 7.3." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "2'-deoxyadenosine 5'-triphosphate" RELATED [ChEBI] synonym: "2'-deoxyadenosine 5'-triphosphate tetraanion" RELATED [ChEBI] synonym: "2'-deoxyadenosine 5'-triphosphate(4-)" RELATED [SUBMITTER] synonym: "486.970" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "487.14990" RELATED MASS [ChEBI] synonym: "C10H12N5O12P3" RELATED FORMULA [ChEBI] synonym: "dATP" RELATED [UniProt] synonym: "dATP tetraanion" RELATED [SUBMITTER] synonym: "InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/p-4/t5-,6+,7+/m0/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1" RELATED SMILES [ChEBI] synonym: "SUYVUBYJARFZHO-RRKCRQDMSA-J" RELATED InChIKey [ChEBI] xref: MetaCyc:DATP "SUBMITTER" xref: Reaxys:5788808 "Reaxys" is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:495505 ! dATP(3-) [Term] id: CHEBI:61448 name: isopropyl beta-D-thiogalactopyranoside namespace: chebi_ontology alt_id: CHEBI:43601 def: "An S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "238.087" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "238.30100" RELATED MASS [ChEBI] synonym: "BPHPUYQFMNQIOC-NXRLNHOXSA-N" RELATED InChIKey [ChEBI] synonym: "C9H18O5S" RELATED FORMULA [ChEBI] synonym: "CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1" RELATED InChI [ChEBI] synonym: "IPTG" RELATED [SUBMITTER] synonym: "isopropyl beta-D-1-thiogalactopyranoside" RELATED [ChEBI] synonym: "isopropyl beta-D-thiogalactoside" RELATED [ChemIDplus] synonym: "isopropyl thiogalactoside" RELATED [ChemIDplus] synonym: "isopropyl-beta-D-thiogalactopyranoside" RELATED [ChemIDplus] synonym: "isopropyl-beta-D-thiogalactoside" RELATED [ChemIDplus] xref: CAS:367-93-1 "ChemIDplus" xref: colombos:IPTG xref: colombos:IPTG\:+_unknownmM xref: colombos:IPTG\:+UNKNOWNmM xref: Patent:US6995145 xref: PDBeChem:IPT xref: PMID:16274703 "Europe PMC" xref: PMID:7621904 "Europe PMC" xref: PMID:7746284 "Europe PMC" xref: Reaxys:4631 "Reaxys" is_a: CHEBI:35275 ! S-glycosyl compound [Term] id: CHEBI:61557 name: nucleoside triphosphate(4-) namespace: chebi_ontology def: "A ribonucleoside triphosphate oxoanion arising from global deprotonation of the triphosphate group of any nucleoside triphosphate." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "368.918" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "384.06500" RELATED MASS [ChEBI] synonym: "a ribonucleoside 5'-triphosphate" RELATED [UniProt] synonym: "C5H8O13P3R" RELATED FORMULA [ChEBI] synonym: "C[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "NTP tetraanion" RELATED [ChEBI] synonym: "NTP(4-)" RELATED [SUBMITTER] synonym: "nucleoside 5'-triphosphate tetraanion" RELATED [ChEBI] synonym: "nucleoside triphosphate(4-)" EXACT [ChEBI] is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion relationship: is_conjugate_base_of CHEBI:58104 ! nucleoside triphosphate(3-) [Term] id: CHEBI:61560 name: 2'-deoxyribonucleoside 5'-triphosphate(4-) namespace: chebi_ontology def: "A 2'-deoxyribonucleoside triphosphate oxoanion being the tetraanion formed by global deprotonation of the triphosphate group." [] subset: 3_STAR synonym: "-4" RELATED CHARGE [ChEBI] synonym: "352.923" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "368.06560" RELATED MASS [ChEBI] synonym: "a 2'-deoxyribonucleoside 5'-triphosphate" RELATED [UniProt] synonym: "C5H8O12P3R" RELATED FORMULA [ChEBI] synonym: "C[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1" RELATED SMILES [ChEBI] synonym: "deoxyribonucleoside triphosphate(4-)" RELATED [ChEBI] synonym: "dNTP(4-)" RELATED [SUBMITTER] is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion relationship: is_conjugate_base_of CHEBI:16381 ! 2'-deoxyribonucleoside 5'-triphosphate [Term] id: CHEBI:616459 name: carbamimidoylazanium namespace: chebi_ontology subset: 2_STAR is_a: CHEBI:35359 ! carboxamidine relationship: is_conjugate_base_of CHEBI:30087 ! guanidinium [Term] id: CHEBI:61662 name: 2'-deoxyribonucleoside triphosphate oxoanion namespace: chebi_ontology def: "An organophosphate anion resulting from deprotonation of at least one of the acidic hydroxy groups from the triphosphate moiety of a 2'-deoxyribonucleoside triphosphate." [] subset: 3_STAR synonym: "2'-deoxyribonucleoside triphosphate anion" RELATED [ChEBI] synonym: "2'-deoxyribonucleoside triphosphate anions" RELATED [ChEBI] synonym: "2'-deoxyribonucleoside triphosphate oxoanions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion [Term] id: CHEBI:61689 name: amino cyclitol namespace: chebi_ontology def: "Any cyclitol having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups." [] subset: 3_STAR synonym: "amino cyclitols" RELATED [ChEBI] synonym: "aminocyclitol" RELATED [ChEBI] synonym: "aminocyclitols" RELATED [ChEBI] is_a: CHEBI:23451 ! cyclitol [Term] id: CHEBI:61697 name: fatty acid derivative namespace: chebi_ontology def: "Any organic molecular entity derived from a fatty acid." [] subset: 3_STAR synonym: "FA derivative" RELATED [ChEBI] synonym: "FA derivatives" RELATED [ChEBI] synonym: "fatty acid derivatives" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity relationship: has_functional_parent CHEBI:35366 ! fatty acid [Term] id: CHEBI:61908 name: EC 1.14.13.39 (nitric oxide synthase) inhibitor namespace: chebi_ontology def: "An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39)." [] subset: 3_STAR synonym: "EC 1.14.13.39 (nitric oxide synthase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.13.39 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.13.39 inhibitors" RELATED [ChEBI] synonym: "endothelium-derived relaxation factor-forming enzyme inhibitor" RELATED [ChEBI] synonym: "endothelium-derived relaxation factor-forming enzyme inhibitors" RELATED [ChEBI] synonym: "endothelium-derived relaxing factor synthase inhibitor" RELATED [ChEBI] synonym: "endothelium-derived relaxing factor synthase inhibitors" RELATED [ChEBI] synonym: "NADPH-diaphorase inhibitor" RELATED [ChEBI] synonym: "NADPH-diaphorase inhibitors" RELATED [ChEBI] synonym: "nitric oxide synthase (EC 1.14.13.39) inhibitor" RELATED [ChEBI] synonym: "nitric oxide synthase (EC 1.14.13.39) inhibitors" RELATED [ChEBI] synonym: "nitric oxide synthase inhibitor" RELATED [ChEBI] synonym: "nitric oxide synthase inhibitors" RELATED [ChEBI] synonym: "nitric oxide synthetase inhibitor" RELATED [ChEBI] synonym: "nitric oxide synthetase inhibitors" RELATED [ChEBI] synonym: "nitric-oxide synthetase inhibitor" RELATED [ChEBI] synonym: "nitric-oxide synthetase inhibitors" RELATED [ChEBI] synonym: "NO synthase inhibitor" RELATED [ChEBI] synonym: "NO synthase inhibitors" RELATED [ChEBI] xref: Wikipedia:Nitric_oxide_synthase is_a: CHEBI:76841 ! EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor [Term] id: CHEBI:61991 name: maltotriose trisaccharide namespace: chebi_ontology def: "A trisaccharide comprised of three D-glucose residues connected by alpha(1->4) linkages." [] subset: 3_STAR synonym: "maltotrioses" RELATED [ChEBI] is_a: CHEBI:17593 ! maltooligosaccharide is_a: CHEBI:27150 ! trisaccharide [Term] id: CHEBI:61993 name: maltotriose namespace: chebi_ontology def: "A maltotriose trisaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "504.169" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "504.43710" RELATED MASS [ChEBI] synonym: "alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glc" RELATED [JCBN] synonym: "alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "Amylotriose" RELATED [ChemIDplus] synonym: "Amylotriose" RELATED [KEGG_COMPOUND] synonym: "C18H32O16" RELATED FORMULA [ChEBI] synonym: "D-maltotriose" RELATED [ChEBI] synonym: "InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1" RELATED InChI [ChEBI] synonym: "OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O" RELATED SMILES [ChEBI] synonym: "RXVWSYJTUUKTEA-CGQAXDJHSA-N" RELATED InChIKey [ChEBI] xref: CAS:1109-28-0 "ChemIDplus" xref: KEGG:C01835 xref: PDBeChem:MLR xref: Reaxys:100354 "Reaxys" is_a: CHEBI:61991 ! maltotriose trisaccharide [Term] id: CHEBI:62031 name: polar amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group." [] subset: 2_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "74.05870" RELATED MASS [ChEBI] synonym: "[NH3+]C([*])C([O-])=O" RELATED SMILES [ChEBI] synonym: "a polar amino acid" RELATED [UniProt] synonym: "C2H4NO2R" RELATED FORMULA [ChEBI] xref: MetaCyc:Polar-amino-acids "SUBMITTER" is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:35238 ! amino acid zwitterion [Term] id: CHEBI:62049 name: acyl donor namespace: chebi_ontology def: "Any donor that can transfer acyl groups between molecular entities." [] subset: 3_STAR xref: PMID:16100120 "Europe PMC" xref: PMID:19052863 "Europe PMC" is_a: CHEBI:17891 ! donor [Term] id: CHEBI:62070 name: nalidixic acid anion namespace: chebi_ontology def: "A monocarboxylic acid anion that is the conjugate base of nalidixic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "231.077" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "231.22730" RELATED MASS [ChEBI] synonym: "C12H11N2O3" RELATED FORMULA [ChEBI] synonym: "CCn1cc(C([O-])=O)c(=O)c2ccc(C)nc12" RELATED SMILES [ChEBI] synonym: "InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)/p-1" RELATED InChI [ChEBI] synonym: "MHWLWQUZZRMNGJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "nalidixate" RELATED [ChEBI] synonym: "nalidixate anion" RELATED [ChEBI] synonym: "nalidixate(1-)" RELATED [ChEBI] xref: PMID:10793679 "Europe PMC" xref: PMID:16107187 "Europe PMC" xref: PMID:375215 "Europe PMC" xref: PMID:6283318 "Europe PMC" xref: PMID:673862 "Europe PMC" xref: PMID:766016 "Europe PMC" xref: PMID:785214 "Europe PMC" xref: PMID:8893520 "Europe PMC" xref: Reaxys:3556893 "Reaxys" is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:100147 ! nalidixic acid [Term] id: CHEBI:62081 name: 1,1-diunsubstituted alkanesulfonate namespace: chebi_ontology def: "An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "1,1-di-unsubstituted alkanesulfonate" RELATED [ChEBI] synonym: "1,1-di-unsubstituted alkanesulfonates" RELATED [ChEBI] synonym: "1,1-diunsubstituted alkanesulfonates" RELATED [ChEBI] synonym: "93.972" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "94.09000" RELATED MASS [ChEBI] synonym: "[H]C([H])([*])S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "CH2O3SR" RELATED FORMULA [ChEBI] xref: KEGG:C15521 xref: MetaCyc:Alkanesulfonates is_a: CHEBI:134249 ! alkanesulfonate oxoanion relationship: has_role CHEBI:35703 ! xenobiotic [Term] id: CHEBI:62164 name: N-acetylmannosamine namespace: chebi_ontology def: "Any mannosamine carrying an N-acetyl substituent" [] subset: 3_STAR synonym: "N-acetylmannosamines" RELATED [ChEBI] is_a: CHEBI:25166 ! mannosamine [Term] id: CHEBI:62345 name: L-rhamnose namespace: chebi_ontology def: "Any rhamnose having L-configuration. L-rhamnose occurs naturally in many plant glycosides and some gram-negative bacterial lipopolysaccharides." [] subset: 3_STAR synonym: "L-rhamnoses" RELATED [ChEBI] xref: DrugBank:DB02961 xref: HMDB:HMDB00849 xref: KEGG:C00507 xref: PMID:19913595 "Europe PMC" xref: PMID:22770225 "Europe PMC" xref: Wikipedia:Rhamnose is_a: CHEBI:26546 ! rhamnose [Term] id: CHEBI:62414 name: biotinyl-5'-AMP(1-) namespace: chebi_ontology def: "The organophosphate oxoanion that is the monoanion formed from biotinyl-5'-AMP by loss of a proton from the phospho group; major microspecies at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "572.133" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "572.50900" RELATED MASS [ChEBI] synonym: "[H][C@]12CS[C@@H](CCCCC(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2" RELATED SMILES [ChEBI] synonym: "biotinyl-5'-adenylate" RELATED [MetaCyc] synonym: "biotinyl-5'-adenylate (1-)" RELATED [SUBMITTER] synonym: "biotinyl-5'-AMP" RELATED [UniProt] synonym: "C20H27N7O9PS" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/p-1/t9-,10+,11-,13-,15+,16+,19+/m0/s1" RELATED InChI [ChEBI] synonym: "UTQCSTJVMLODHM-RHCAYAJFSA-M" RELATED InChIKey [ChEBI] xref: MetaCyc:BIO-5-AMP "SUBMITTER" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:3110 ! biotinyl-5'-AMP [Term] id: CHEBI:62488 name: signalling molecule namespace: chebi_ontology def: "A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell." [] subset: 3_STAR synonym: "signal molecule" RELATED [ChEBI] synonym: "signal molecules" RELATED [ChEBI] synonym: "signaling molecule" RELATED [ChEBI] synonym: "signaling molecules" RELATED [ChEBI] synonym: "signalling molecules" RELATED [ChEBI] is_a: CHEBI:33280 ! molecular messenger [Term] id: CHEBI:62733 name: aromatic amide namespace: chebi_ontology def: "An amide in which the amide linkage is bonded directly to an aromatic system." [] subset: 3_STAR synonym: "aromatic amides" RELATED [ChEBI] is_a: CHEBI:32988 ! amide is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:62764 name: reactive nitrogen species namespace: chebi_ontology def: "A family of nitrogen molecular entities which are highly reactive and derived from nitric oxide (.NO) and superoxide (O2.(-)) produced via the enzymatic activity of inducible nitric oxide synthase 2 (NOS2) and NADPH oxidase respectively." [] subset: 3_STAR synonym: "RNI" RELATED [SUBMITTER] synonym: "RNS" RELATED [SUBMITTER] xref: PMID:12076975 "SUBMITTER" xref: PMID:17667957 "SUBMITTER" xref: PMID:9741578 "SUBMITTER" xref: Wikipedia:Reactive_nitrogen_species is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:62803 name: fuel additive namespace: chebi_ontology def: "Any additive that enhances the efficiency of fuel." [] subset: 3_STAR synonym: "fuel additives" RELATED [ChEBI] synonym: "fuel enhancer" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:62868 name: hepatoprotective agent namespace: chebi_ontology def: "Any compound that is able to prevent damage to the liver." [] subset: 3_STAR synonym: "antihepatotoxic agent" RELATED [ChEBI] synonym: "hepatoprotective agents" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:62944 name: sialic acid anion namespace: chebi_ontology def: "A carboxylic acid anion that is the conjugate base of a sialic acid, formed by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "sialic acid anions" RELATED [ChEBI] is_a: CHEBI:63551 ! carbohydrate acid derivative anion relationship: is_conjugate_base_of CHEBI:26667 ! sialic acid [Term] id: CHEBI:62946 name: ammonium sulfate namespace: chebi_ontology def: "An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils." [] subset: 3_STAR synonym: "(NH4)2SO4" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "132.020" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.14000" RELATED MASS [ChEBI] synonym: "[NH4+].[NH4+].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "ammonium sulfate (2:1)" RELATED [ChemIDplus] synonym: "ammonium sulphate" RELATED [SUBMITTER] synonym: "BFNBIHQBYMNNAN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "diammonium sulfate" RELATED [IUPAC] synonym: "diazanium sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "H8N2O4S" RELATED FORMULA [ChEBI] synonym: "InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)" RELATED InChI [ChEBI] synonym: "mascagnite" RELATED [ChemIDplus] synonym: "sulfuric acid ammonium salt (1:2)" RELATED [ChemIDplus] synonym: "sulfuric acid, diammonium salt" RELATED [ChemIDplus] xref: CAS:7783-20-2 "KEGG DRUG" xref: KEGG:D08853 xref: MetaCyc:NH42SO4 xref: PMID:20556652 "Europe PMC" xref: Reaxys:11343144 "Reaxys" xref: Wikipedia:Ammonium_sulfate is_a: CHEBI:24840 ! inorganic sulfate salt is_a: CHEBI:47704 ! ammonium salt relationship: has_role CHEBI:33287 ! fertilizer [Term] id: CHEBI:62965 name: sodium formate namespace: chebi_ontology def: "An organic sodium salt which is the monosodium salt of formic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "67.987" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "68.00720" RELATED MASS [ChEBI] synonym: "[Na+].[H]C([O-])=O" RELATED SMILES [ChEBI] synonym: "CHNaO2" RELATED FORMULA [ChEBI] synonym: "FORMIC ACID, NA SALT" RELATED [ChemIDplus] synonym: "formic acid, sodium salt" RELATED [SUBMITTER] synonym: "Formic acid, sodium salt (1:1)" RELATED [ChemIDplus] synonym: "HLBBKKJFGFRGMU-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1" RELATED InChI [ChEBI] synonym: "sodium formiate" RELATED [ChEBI] synonym: "Sodium methanoate" RELATED [NIST_Chemistry_WebBook] xref: CAS:141-53-7 "SUBMITTER" xref: PMID:21760741 "Europe PMC" xref: Reaxys:3595134 "Reaxys" is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:15740 ! formate relationship: has_role CHEBI:35225 ! buffer relationship: has_role CHEBI:74783 ! astringent [Term] id: CHEBI:63005 name: sodium nitrate namespace: chebi_ontology def: "The inorganic nitrate salt of sodium." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "84.978" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "84.99470" RELATED MASS [ChEBI] synonym: "[Na+].[O-][N+]([O-])=O" RELATED SMILES [ChEBI] synonym: "Chile saltpeter" RELATED [SUBMITTER] synonym: "Cubic niter" RELATED [ChemIDplus] synonym: "InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1" RELATED InChI [ChEBI] synonym: "Niter" RELATED [ChemIDplus] synonym: "Nitrate de sodium" RELATED [ChemIDplus] synonym: "Nitrate of soda" RELATED [SUBMITTER] synonym: "Nitrate of soda" RELATED [ChemIDplus] synonym: "Nitric acid monosodium salt" RELATED [ChemIDplus] synonym: "Nitric acid sodium salt (1:1)" RELATED [ChemIDplus] synonym: "Nitric acid, sodium salt" RELATED [ChemIDplus] synonym: "NNaO3" RELATED FORMULA [ChEBI] synonym: "sodium nitrate" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium saltpeter" RELATED [ChemIDplus] synonym: "sodium trioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium(I) nitrate (1:1)" RELATED [ChemIDplus] synonym: "VWDWKYIASSYTQR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7631-99-4 "ChemIDplus" xref: Reaxys:11343077 "Reaxys" xref: Wikipedia:Sodium_nitrate is_a: CHEBI:38702 ! inorganic sodium salt is_a: CHEBI:51084 ! inorganic nitrate salt relationship: has_role CHEBI:33287 ! fertilizer [Term] id: CHEBI:63041 name: manganese(II) chloride namespace: chebi_ontology def: "An inorganic chloride in which manganese(II) is coordinated to two chloride ions. In its anhydrous state manganese(II) chloride is a polymeric solid, which adopts a layered cadmium chloride-like structure." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "124.876" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "125.84400" RELATED MASS [ChEBI] synonym: "Cl2Mn" RELATED FORMULA [ChEBI] synonym: "Cl[Mn]Cl" RELATED SMILES [ChEBI] synonym: "dichlorure de manganese" RELATED [ChEBI] synonym: "GLFNIEUTAYBVOC-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/2ClH.Mn/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI] synonym: "Mangandichlorid" RELATED [ChEBI] synonym: "Manganese bichloride" RELATED [ChemIDplus] synonym: "manganese(2+) dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "Manganese(II) chloride (1:2)" RELATED [ChemIDplus] synonym: "manganese(II) dichloride" RELATED [ChEBI] synonym: "Manganous chloride" RELATED [ChemIDplus] synonym: "manganous chloride" RELATED [SUBMITTER] synonym: "manganous dichloride" RELATED [NIST_Chemistry_WebBook] xref: CAS:7773-01-5 "ChemIDplus" xref: colombos:MgSO4 xref: colombos:MnCl2 xref: MetaCyc:CPD0-2394 xref: PMID:101555 "Europe PMC" xref: PMID:146543 "Europe PMC" xref: PMID:19801673 "Europe PMC" xref: PMID:3143594 "Europe PMC" xref: PMID:4476198 "Europe PMC" xref: PMID:4771199 "Europe PMC" xref: PMID:98204 "Europe PMC" xref: Reaxys:8128170 "Reaxys" xref: Wikipedia:Manganese(II)_chloride is_a: CHEBI:35117 ! manganese coordination entity is_a: CHEBI:36093 ! inorganic chloride relationship: has_role CHEBI:50733 ! nutraceutical [Term] id: CHEBI:63043 name: potassium nitrate namespace: chebi_ontology def: "The inorganic nitrate salt of potassium." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "100.952" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "101.10320" RELATED MASS [ChEBI] synonym: "[K+].[O-][N+]([O-])=O" RELATED SMILES [ChEBI] synonym: "FGIUAXJPYTZDNR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/K.NO3/c;2-1(3)4/q+1;-1" RELATED InChI [ChEBI] synonym: "Kaliumnitrat" RELATED [ChemIDplus] synonym: "KNO3" RELATED FORMULA [ChEBI] synonym: "Niter" RELATED [ChemIDplus] synonym: "Nitrate of potash" RELATED [ChemIDplus] synonym: "Nitre" RELATED [ChemIDplus] synonym: "Nitric acid, potassium salt" RELATED [ChemIDplus] synonym: "potassium nitrate" EXACT IUPAC_NAME [IUPAC] synonym: "Salt peter" RELATED [ChemIDplus] synonym: "Saltpeter" RELATED [ChemIDplus] synonym: "saltpetre" RELATED [SUBMITTER] xref: CAS:7757-79-1 "ChemIDplus" xref: colombos:KNO3 xref: KEGG:D02051 "SUBMITTER" xref: PMID:20062955 "Europe PMC" xref: PMID:21566718 "Europe PMC" xref: PMID:21770249 "Europe PMC" xref: PMID:21905227 "Europe PMC" xref: Reaxys:16014598 "Reaxys" xref: Wikipedia:Potassium_nitrate is_a: CHEBI:26218 ! potassium salt is_a: CHEBI:51084 ! inorganic nitrate salt relationship: has_role CHEBI:33287 ! fertilizer [Term] id: CHEBI:63046 name: emulsifier namespace: chebi_ontology def: "The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability." [] subset: 3_STAR synonym: "emulgent" RELATED [ChEBI] synonym: "emulgents" RELATED [ChEBI] synonym: "emulsifiers" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63056 name: zinc cation namespace: chebi_ontology def: "Any zinc ion that is positively charged." [] subset: 3_STAR synonym: "zinc cations" RELATED [ChEBI] is_a: CHEBI:27365 ! zinc ion is_a: CHEBI:33515 ! transition element cation [Term] id: CHEBI:63063 name: cadmium cation namespace: chebi_ontology def: "A transition element cation where the metal is specifed as cadmium." [] subset: 3_STAR synonym: "cadmium cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation [Term] id: CHEBI:63070 name: beta-alaninate namespace: chebi_ontology def: "A beta-amino-acid anion that is the conjugate base of beta-alanine." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "3-aminopropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "88.040" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "88.08520" RELATED MASS [ChEBI] synonym: "beta-alaninate anion" RELATED [ChEBI] synonym: "beta-alaninate(1-)" RELATED [ChEBI] synonym: "C3H6NO2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1" RELATED InChI [ChEBI] synonym: "NCCC([O-])=O" RELATED SMILES [ChEBI] synonym: "UCMIRNVEIXFBKS-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: Reaxys:3536336 "Reaxys" is_a: CHEBI:49095 ! beta-amino-acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:16958 ! beta-alanine [Term] id: CHEBI:63072 name: L-homocysteinate namespace: chebi_ontology def: "An L-alpha-amino acid anion that is the conjugate base of L-homocysteine, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2S)-2-amino-4-sulfanylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "134.028" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "134.17700" RELATED MASS [ChEBI] synonym: "C4H8NO2S" RELATED FORMULA [ChEBI] synonym: "FFFHZYDWPBMWHY-VKHMYHEASA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/p-1/t3-/m0/s1" RELATED InChI [ChEBI] synonym: "L-homocysteate" RELATED [MetaCyc] synonym: "L-homocysteinate anion" RELATED [ChEBI] synonym: "L-homocysteinate(1-)" RELATED [ChEBI] synonym: "N[C@@H](CCS)C([O-])=O" RELATED SMILES [ChEBI] xref: MetaCyc:L-HOMOCYSTEATE xref: Reaxys:6965804 "Reaxys" is_a: CHEBI:59814 ! L-alpha-amino acid anion is_a: CHEBI:66952 ! homocysteinate relationship: is_conjugate_base_of CHEBI:17588 ! L-homocysteine [Term] id: CHEBI:63153 name: N-acetyl-D-mannosamine namespace: chebi_ontology def: "An N-acetylmannosamine having D-configuration." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-acetamido-2-deoxy-D-mannopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "2-Acetamido-2-deoxy-D-mannose" RELATED [KEGG_COMPOUND] synonym: "221.090" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "221.20780" RELATED MASS [ChEBI] synonym: "C8H15NO6" RELATED FORMULA [ChEBI] synonym: "CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1" RELATED InChI [ChEBI] synonym: "ManNAc" RELATED [ChEBI] synonym: "N-acetylmannosamine" RELATED [ChEBI] synonym: "OVRNDRQMDRJTHS-ZTVVOAFPSA-N" RELATED InChIKey [ChEBI] xref: CAS:3615-17-6 "KEGG COMPOUND" xref: HMDB:HMDB01129 xref: KEGG:C00645 xref: KNApSAcK:C00019583 xref: PMID:24430654 "Europe PMC" xref: PMID:24521460 "Europe PMC" xref: Reaxys:1115779 "Reaxys" is_a: CHEBI:16062 ! N-acyl-D-mannosamine is_a: CHEBI:21601 ! N-acetyl-D-hexosamine is_a: CHEBI:62164 ! N-acetylmannosamine relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:63161 name: glycosyl compound namespace: chebi_ontology def: "A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity." [] subset: 3_STAR synonym: "glycosyl compounds" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:63165 name: ribonucleoside monophosphate oxoanion namespace: chebi_ontology def: "An organophosphate oxoanion resulting from deprotonation of at least one of the acidic hydroxy groups from the phosphate moiety of a ribonucleoside monophosphate." [] subset: 3_STAR synonym: "ribonucleoside monophosphate oxoanions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:26558 ! ribonucleoside monophosphate [Term] id: CHEBI:63247 name: reducing agent namespace: chebi_ontology def: "The element or compound in a reduction-oxidation (redox) reaction that donates an electron to another species." [] subset: 3_STAR synonym: "reducer" RELATED [ChEBI] synonym: "reducers" RELATED [ChEBI] synonym: "reducing agents" RELATED [ChEBI] synonym: "reductant" RELATED [ChEBI] synonym: "reductants" RELATED [ChEBI] xref: Wikipedia:Reducing_agent is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63248 name: oxidising agent namespace: chebi_ontology def: "A substance that removes electrons from another reactant in a redox reaction." [] subset: 3_STAR synonym: "oxidant" RELATED [ChEBI] synonym: "oxidants" RELATED [ChEBI] synonym: "oxidiser" RELATED [ChEBI] synonym: "oxidisers" RELATED [ChEBI] synonym: "oxidising agents" RELATED [ChEBI] synonym: "oxidizer" RELATED [ChEBI] synonym: "oxidizers" RELATED [ChEBI] synonym: "oxidizing agent" RELATED [ChEBI] synonym: "oxidizing agents" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63299 name: carbohydrate derivative namespace: chebi_ontology def: "Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds." [] subset: 3_STAR synonym: "carbohydrate derivatives" RELATED [ChEBI] synonym: "derivatised carbohydrate" RELATED [ChEBI] synonym: "derivatised carbohydrates" RELATED [ChEBI] synonym: "derivatized carbohydrate" RELATED [ChEBI] synonym: "derivatized carbohydrates" RELATED [ChEBI] is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives relationship: has_functional_parent CHEBI:16646 ! carbohydrate [Term] id: CHEBI:63332 name: EC 3.1.3.1 (alkaline phosphatase) inhibitor namespace: chebi_ontology def: "An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of alkaline phosphatase (EC 3.1.3.1)." [] subset: 3_STAR synonym: "alkaline phenyl phosphatase inhibitor" RELATED [ChEBI] synonym: "alkaline phenyl phosphatase inhibitors" RELATED [ChEBI] synonym: "alkaline phosphatase (EC 3.1.3.1) inhibitor" RELATED [ChEBI] synonym: "alkaline phosphatase (EC 3.1.3.1) inhibitors" RELATED [ChEBI] synonym: "alkaline phosphatase inhibitor" RELATED [ChEBI] synonym: "alkaline phosphatase inhibitors" RELATED [ChEBI] synonym: "alkaline phosphohydrolase inhibitor" RELATED [ChEBI] synonym: "alkaline phosphohydrolase inhibitors" RELATED [ChEBI] synonym: "alkaline phosphomonoesterase inhibitor" RELATED [ChEBI] synonym: "alkaline phosphomonoesterase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.1 (alkaline phosphatase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.1 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.1 inhibitors" RELATED [ChEBI] synonym: "glycerophosphatase inhibitor" RELATED [ChEBI] synonym: "glycerophosphatase inhibitors" RELATED [ChEBI] synonym: "orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitor" RELATED [ChEBI] synonym: "orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitors" RELATED [ChEBI] synonym: "phosphate-monoester phosphohydrolase (alkaline optimum) inhibitor" RELATED [ChEBI] synonym: "phosphate-monoester phosphohydrolase (alkaline optimum) inhibitors" RELATED [ChEBI] synonym: "phosphomonoesterase inhibitor" RELATED [ChEBI] synonym: "phosphomonoesterase inhibitors" RELATED [ChEBI] xref: Wikipedia:Alkaline_phosphatase is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor [Term] id: CHEBI:63338 name: deoxy sugar derivative namespace: chebi_ontology def: "A carbohydrate derivative formally obtained from a deoxy sugar." [] subset: 3_STAR synonym: "deoxy sugar derivatives" RELATED [ChEBI] synonym: "deoxysugar derivative" RELATED [ChEBI] synonym: "deoxysugar derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:63340 name: deoxyhexose derivative namespace: chebi_ontology def: "A deoxy sugar derivative that is formally obtained from a deoxyhexose." [] subset: 3_STAR synonym: "deoxyhexose derivatives" RELATED [ChEBI] is_a: CHEBI:63338 ! deoxy sugar derivative relationship: has_functional_parent CHEBI:23628 ! deoxyhexose [Term] id: CHEBI:63350 name: deoxyketohexose derivative namespace: chebi_ontology def: "A deoxy sugar derivative that is formally obtained from a deoxyketohexose." [] subset: 3_STAR synonym: "deoxyketohexose derivatives" RELATED [ChEBI] is_a: CHEBI:63340 ! deoxyhexose derivative relationship: has_functional_parent CHEBI:24965 ! deoxyketohexose [Term] id: CHEBI:63353 name: disaccharide derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from a disaccharide." [] subset: 3_STAR synonym: "disaccharide derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:36233 ! disaccharide [Term] id: CHEBI:63367 name: monosaccharide derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from a monosaccharide." [] subset: 3_STAR synonym: "monosaccharide derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:35381 ! monosaccharide [Term] id: CHEBI:63385 name: hexose derivative namespace: chebi_ontology def: "A monosaccharide derivative that is formally obtained from a hexose." [] subset: 3_STAR synonym: "hexose derivatives" RELATED [ChEBI] is_a: CHEBI:63367 ! monosaccharide derivative relationship: has_functional_parent CHEBI:18133 ! hexose [Term] id: CHEBI:63394 name: ketoaldonic acid derivative namespace: chebi_ontology def: "A monosaccharide derivative that is formally obtained from a ketoaldonic acid." [] subset: 3_STAR synonym: "ketoaldonic acid derivatives" RELATED [ChEBI] is_a: CHEBI:63367 ! monosaccharide derivative relationship: has_functional_parent CHEBI:24963 ! ketoaldonic acid [Term] id: CHEBI:63409 name: pentose derivative namespace: chebi_ontology def: "A monosaccharide derivative that is formally obtained from a pentose." [] subset: 3_STAR synonym: "pentose derivatives" RELATED [ChEBI] is_a: CHEBI:63367 ! monosaccharide derivative relationship: has_functional_parent CHEBI:25901 ! pentose [Term] id: CHEBI:63423 name: alditol derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from an alditol." [] subset: 3_STAR synonym: "alditol derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:17522 ! alditol [Term] id: CHEBI:63436 name: carbohydrate acid derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from a carbohydrate acid." [] subset: 3_STAR synonym: "carbohydrate acid derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:33720 ! carbohydrate acid relationship: is_conjugate_acid_of CHEBI:63551 ! carbohydrate acid derivative anion [Term] id: CHEBI:63470 name: sulfur-containing amino-acid anion namespace: chebi_ontology def: "A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated)." [] subset: 3_STAR synonym: "sulfur-containing amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:26834 ! sulfur-containing amino acid [Term] id: CHEBI:63471 name: branched-chain amino-acid anion namespace: chebi_ontology def: "A branched-chain amino acid whose alpha-carboxylic acid group is ionized (not protonated)." [] subset: 3_STAR synonym: "branched-chain amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:22918 ! branched-chain amino acid [Term] id: CHEBI:63473 name: aromatic amino-acid anion namespace: chebi_ontology def: "An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated)." [] subset: 3_STAR synonym: "aromatic amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33856 ! aromatic amino acid [Term] id: CHEBI:63490 name: explosive namespace: chebi_ontology def: "A substance capable of undergoing rapid and highly exothermic decomposition." [] subset: 3_STAR synonym: "explosive compound" RELATED [ChEBI] synonym: "explosive compounds" RELATED [ChEBI] synonym: "explosive material" RELATED [ChEBI] synonym: "explosives" RELATED [ChEBI] synonym: "explosives chemical" RELATED [ChEBI] synonym: "explosives chemicals" RELATED [ChEBI] xref: Wikipedia:Explosive_material is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63534 name: monoamine namespace: chebi_ontology def: "An aralylamino compound which contains one amino group connected to an aromatic ring by a two-carbon chain. Monoamines are derived from aromatic amino acids like phenylalanine, tyrosine, tryptophan, and the thyroid hormones by the action of aromatic amino acid decarboxylase enzymes." [] subset: 3_STAR synonym: "monoamines" RELATED [ChEBI] synonym: "naturally occurring monoamine" RELATED [ChEBI] synonym: "naturally occurring monoamines" RELATED [ChEBI] xref: PMID:21822758 "Europe PMC" xref: PMID:21993877 "Europe PMC" xref: PMID:22005599 "Europe PMC" xref: PMID:22082101 "Europe PMC" xref: PMID:22153577 "Europe PMC" xref: PMID:22213370 "Europe PMC" xref: PMID:22218931 "Europe PMC" xref: PMID:22342987 "Europe PMC" xref: PMID:22371656 "Europe PMC" is_a: CHEBI:64365 ! aralkylamino compound [Term] id: CHEBI:63551 name: carbohydrate acid derivative anion namespace: chebi_ontology def: "A carboxylic acid anion resulting from the deprotonation of the carboxy group of a carbohydrate acid derivative." [] subset: 3_STAR synonym: "carbohydrate acid anion derivative" RELATED [ChEBI] synonym: "carbohydrate acid anion derivatives" RELATED [ChEBI] synonym: "carbohydrate acid derivative anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: has_functional_parent CHEBI:33721 ! carbohydrate acid anion relationship: is_conjugate_base_of CHEBI:63436 ! carbohydrate acid derivative [Term] id: CHEBI:63561 name: ketoaldonate derivative namespace: chebi_ontology def: "A carbohydrate acid derivative anion that is formally obtained from a ketoaldonate." [] subset: 3_STAR synonym: "ketoaldonate derivatives" RELATED [ChEBI] is_a: CHEBI:63551 ! carbohydrate acid derivative anion relationship: has_functional_parent CHEBI:24961 ! ketoaldonate [Term] id: CHEBI:63563 name: oligosaccharide derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from an oligosaccharide." [] subset: 3_STAR synonym: "O-glycosylglycoside derivative" RELATED [ChEBI] synonym: "O-glycosylglycoside derivatives" RELATED [ChEBI] synonym: "oligosaccharide derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:50699 ! oligosaccharide [Term] id: CHEBI:63726 name: neuroprotective agent namespace: chebi_ontology def: "Any compound that can be used for the treatment of neurodegenerative disorders." [] subset: 3_STAR synonym: "neuroprotectant" RELATED [ChEBI] synonym: "neuroprotectants" RELATED [ChEBI] synonym: "neuroprotective agents" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:63789 name: N-(3-oxohexanoyl)-L-homoserine lactone namespace: chebi_ontology def: "An N-acyl-L-homoserine lactone having 3-oxohexanoyl as the acyl substituent." [] subset: 3_STAR synonym: "(S)-3-(3-ketohexanamido)-2-oxotetrahydrofuran" RELATED [ChEBI] synonym: "(S)-3-(3-ketohexanamido)butyrolactone" RELATED [ChEBI] synonym: "(S)-3-(3-oxohexanamido)-2-oxotetrahydrofuran" RELATED [ChEBI] synonym: "(S)-3-(3-oxohexanamido)butyrolactone" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "213.100" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "213.23040" RELATED MASS [ChEBI] synonym: "3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide" EXACT IUPAC_NAME [IUPAC] synonym: "C10H15NO4" RELATED FORMULA [ChEBI] synonym: "CCCC(=O)CC(=O)N[C@H]1CCOC1=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1" RELATED InChI [ChEBI] synonym: "N-(3-ketocaproyl)-L-homoserine lactone" RELATED [ChEBI] synonym: "N-(3-ketohexanoyl)-L-homoserine lactone" RELATED [ChEBI] synonym: "N-(beta-ketocaproyl)-L-homoserine lactone" RELATED [ChEBI] synonym: "YRYOXRMDHALAFL-QMMMGPOBSA-N" RELATED InChIKey [ChEBI] xref: Reaxys:7479823 "Reaxys" is_a: CHEBI:55474 ! N-acyl-L-homoserine lactone [Term] id: CHEBI:63940 name: sodium tungstate namespace: chebi_ontology def: "An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "293.82000" RELATED MASS [ChEBI] synonym: "293.910" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[Na+].[Na+].[O-][W]([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "Disodium tetraoxotungstate" RELATED [ChemIDplus] synonym: "Disodium tungstate" RELATED [ChemIDplus] synonym: "InChI=1S/2Na.4O.W/q2*+1;;;2*-1;" RELATED InChI [ChEBI] synonym: "Na2O4W" RELATED FORMULA [ChEBI] synonym: "Na2WO4" RELATED [ChEBI] synonym: "sodium tetraoxotungstate(VI)" RELATED [ChEBI] synonym: "Sodium tungstate(VI)" RELATED [ChemIDplus] synonym: "Sodium tungsten oxide" RELATED [ChemIDplus] synonym: "Sodium wolframate" RELATED [ChemIDplus] synonym: "Tungstic acid, disodium salt" RELATED [ChemIDplus] synonym: "XMVONEAAOPAGAO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:13472-45-2 "ChemIDplus" xref: Reaxys:11343345 "Reaxys" xref: Wikipedia:Sodium_tungstate is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_part CHEBI:46502 ! tungstate relationship: has_role CHEBI:33893 ! reagent [Term] id: CHEBI:63944 name: macrocyclic lactone namespace: chebi_ontology alt_id: CHEBI:50333 def: "Any lactone in which the cyclic carboxylic ester group forms a part of a cyclic macromolecule." [] subset: 3_STAR synonym: "macrocyclic lactones" RELATED [ChEBI] is_a: CHEBI:25000 ! lactone is_a: CHEBI:51026 ! macrocycle [Term] id: CHEBI:64018 name: protein kinase C agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates a protein kinase C receptor" [] subset: 3_STAR synonym: "protein kinase C agonists" RELATED [ChEBI] is_a: CHEBI:64106 ! protein kinase agonist [Term] id: CHEBI:64047 name: food additive namespace: chebi_ontology def: "Any substance which is added to food to preserve or enhance its flavour and/or appearance." [] subset: 3_STAR synonym: "food additives" RELATED [ChEBI] xref: Wikipedia:Food_additive is_a: CHEBI:33232 ! application is_a: CHEBI:78295 ! food component [Term] id: CHEBI:64049 name: food acidity regulator namespace: chebi_ontology def: "A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents." [] subset: 3_STAR synonym: "acidity regulator" RELATED [ChEBI] synonym: "acidity regulators" RELATED [ChEBI] synonym: "food acidity regulators" RELATED [ChEBI] synonym: "pH control agent" RELATED [ChEBI] synonym: "pH control agents" RELATED [ChEBI] xref: Wikipedia:Acidity_regulator is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:64106 name: protein kinase agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates a protein kinase receptor." [] subset: 3_STAR synonym: "protein kinase agonists" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:64290 name: erythromycin cation namespace: chebi_ontology def: "An organic cation obtained by protonation of any erythromycin." [] subset: 3_STAR synonym: "erythromycin cation" EXACT [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_base_of CHEBI:48923 ! erythromycin [Term] id: CHEBI:64365 name: aralkylamino compound namespace: chebi_ontology def: "An organic amino compound in which an aminoalkyl group is linked to an arene." [] subset: 3_STAR synonym: "aralkylamino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:64382 name: organosulfonate salt namespace: chebi_ontology def: "Any organic salt prepared using an organosulfonic acid as the acid component." [] subset: 3_STAR synonym: "organosulfonate salts" RELATED [ChEBI] synonym: "organosulphonate salt" RELATED [ChEBI] synonym: "organosulphonate salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt [Term] id: CHEBI:64459 name: biaryl namespace: chebi_ontology def: "An organic aromatic compound whose structure contains two aromatic rings or ring systems, joined to each other by a single bond." [] subset: 3_STAR synonym: "biaryls" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:64554 name: tryptophan zwitterion namespace: chebi_ontology def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tryptophan; major species at pH 7.3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-ammonio-3-(1H-indol-3-yl)propanoate" RELATED [IUPAC] synonym: "2-azaniumyl-3-(1H-indol-3-yl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "204.090" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "204.22520" RELATED MASS [ChEBI] synonym: "[NH3+]C(Cc1c[nH]c2ccccc12)C([O-])=O" RELATED SMILES [ChEBI] synonym: "C11H12N2O2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)" RELATED InChI [ChEBI] synonym: "QIVBCDIJIAJPQS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:27897 ! tryptophan [Term] id: CHEBI:64558 name: methionine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of methionine; major species at pH 7.3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "149.051" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "149.21100" RELATED MASS [ChEBI] synonym: "2-ammonio-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "2-azaniumyl-4-(methylsulfanyl)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "C5H11NO2S" RELATED FORMULA [ChEBI] synonym: "CSCCC([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "FFEARJCKVFRZRR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" RELATED InChI [ChEBI] synonym: "methionine" RELATED [UniProt] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16811 ! methionine [Term] id: CHEBI:64570 name: EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor that interferes with the action of glycine hydroxymethyltransferase (EC 2.1.2.1)." [] subset: 3_STAR synonym: "5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "allothreonine aldolase inhibitor" RELATED [ChEBI] synonym: "allothreonine aldolase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.1 inhibitor" RELATED [ChEBI] synonym: "EC 2.1.2.1 inhibitors" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "L-serine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "L-serine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "L-threonine aldolase inhibitor" RELATED [ChEBI] synonym: "L-threonine aldolase inhibitors" RELATED [ChEBI] synonym: "serine aldolase inhibitor" RELATED [ChEBI] synonym: "serine aldolase inhibitors" RELATED [ChEBI] synonym: "serine hydroxymethylase inhibitor" RELATED [ChEBI] synonym: "serine hydroxymethylase inhibitors" RELATED [ChEBI] synonym: "serine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "serine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "serine transhydroxymethylase inhibitor" RELATED [ChEBI] synonym: "serine transhydroxymethylase inhibitors" RELATED [ChEBI] synonym: "threonine aldolase inhibitor" RELATED [ChEBI] synonym: "threonine aldolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Glycine_hydroxymethyltransferase is_a: CHEBI:76874 ! EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor [Term] id: CHEBI:64571 name: NMDA receptor agonist namespace: chebi_ontology def: "An excitatory amino acid agonist which binds to NMDA receptors and triggers a response." [] subset: 3_STAR synonym: "N-methyl-D-aspartate receptor agonist" RELATED [ChEBI] synonym: "N-methyl-D-aspartate receptor agonists" RELATED [ChEBI] synonym: "NMDA receptor agonists" RELATED [ChEBI] synonym: "NMDAR agonist" RELATED [ChEBI] synonym: "NMDAR agonists" RELATED [ChEBI] is_a: CHEBI:50103 ! excitatory amino acid agonist [Term] id: CHEBI:64577 name: flour treatment agent namespace: chebi_ontology def: "A food additive which is added to flour or dough to improve baking quality and/or colour." [] subset: 3_STAR synonym: "dough improver" RELATED [ChEBI] synonym: "dough improvers" RELATED [ChEBI] synonym: "flour treatment agent" EXACT [ChEBI] synonym: "improving agent" RELATED [ChEBI] synonym: "improving agents" RELATED [ChEBI] xref: Wikipedia:Flour_treatment_agent is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:64600 name: C21-steroid hormone namespace: chebi_ontology def: "A steroid compound with a structure based on a 21-carbon (pregnane) skeleton that acts as a hormone." [] subset: 3_STAR synonym: "C21-steroid hormones" RELATED [ChEBI] is_a: CHEBI:26764 ! steroid hormone is_a: CHEBI:61313 ! C21-steroid [Term] id: CHEBI:64641 name: divalent inorganic cation namespace: chebi_ontology def: "An inorganic cation with a valency of two." [] subset: 3_STAR is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:64708 name: one-carbon compound namespace: chebi_ontology def: "An organic molecular entity containing a single carbon atom (C1)." [] subset: 3_STAR synonym: "one-carbon compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:64709 name: organic acid namespace: chebi_ontology def: "Any organic molecular entity that is acidic and contains carbon in covalent linkage." [] subset: 3_STAR synonym: "organic acids" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:64712 name: trivalent inorganic cation namespace: chebi_ontology def: "An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of three." [] subset: 3_STAR is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:64857 name: cosmetic namespace: chebi_ontology def: "The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it." [] subset: 3_STAR synonym: "cosmetic component" RELATED [ChEBI] synonym: "cosmetics" RELATED [ChEBI] xref: Wikipedia:Cosmetics is_a: CHEBI:33232 ! application [Term] id: CHEBI:64909 name: poison namespace: chebi_ontology def: "Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism." [] subset: 3_STAR synonym: "poisonous agent" RELATED [ChEBI] synonym: "poisonous agents" RELATED [ChEBI] synonym: "poisonous substance" RELATED [ChEBI] synonym: "poisonous substances" RELATED [ChEBI] synonym: "poisons" RELATED [ChEBI] synonym: "toxic agent" RELATED [ChEBI] synonym: "toxic agents" RELATED [ChEBI] synonym: "toxic substance" RELATED [ChEBI] synonym: "toxic substances" RELATED [ChEBI] xref: Wikipedia:Poison is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:64911 name: antimitotic namespace: chebi_ontology def: "Any compound that inhibits cell division (mitosis)." [] subset: 3_STAR synonym: "antimitotics" RELATED [ChEBI] synonym: "mitosis inhibitor" RELATED [ChEBI] synonym: "mitosis inhibitors" RELATED [ChEBI] synonym: "mitotic inhibitor" RELATED [ChEBI] synonym: "mitotic inhibitors" RELATED [ChEBI] xref: Wikipedia:Mitotic_inhibitor is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:64912 name: antimycobacterial drug namespace: chebi_ontology def: "A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy." [] subset: 3_STAR synonym: "antimycobacterial agent" RELATED [ChEBI] synonym: "antimycobacterial agents" RELATED [ChEBI] synonym: "antimycobacterial drugs" RELATED [ChEBI] synonym: "antimycobacterials" RELATED [ChEBI] synonym: "antimycobacterium" RELATED [ChEBI] is_a: CHEBI:36047 ! antibacterial drug [Term] id: CHEBI:64996 name: EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor namespace: chebi_ontology def: "A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33)." [] subset: 3_STAR synonym: "15-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "15-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "15-LOX inhibitor" RELATED [ChEBI] synonym: "15-LOX inhibitors" RELATED [ChEBI] synonym: "arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitor" RELATED [ChEBI] synonym: "arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitors" RELATED [ChEBI] synonym: "arachidonate 15-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "arachidonate 15-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "arachidonate:oxygen 15-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "arachidonate:oxygen 15-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.33 inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.33 inhibitors" RELATED [ChEBI] synonym: "linoleic acid omega(6)-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "linoleic acid omega(6)-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "omega(6) lipoxygenase inhibitor" RELATED [ChEBI] synonym: "omega(6) lipoxygenase inhibitors" RELATED [ChEBI] is_a: CHEBI:35856 ! lipoxygenase inhibitor [Term] id: CHEBI:65001 name: EC 3.1.1.3 (triacylglycerol lipase) inhibitor namespace: chebi_ontology def: "Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3)." [] subset: 3_STAR synonym: "butyrinase inhibitor" RELATED [ChEBI] synonym: "butyrinase inhibitors" RELATED [ChEBI] synonym: "cacordase inhibitor" RELATED [ChEBI] synonym: "cacordase inhibitors" RELATED [ChEBI] synonym: "capalase L inhibitor" RELATED [ChEBI] synonym: "capalase L inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.3 (triacylglycerol lipase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.3 inhibitors" RELATED [ChEBI] synonym: "GEH inhibitor" RELATED [ChEBI] synonym: "GEH inhibitors" RELATED [ChEBI] synonym: "glycerol ester hydrolase inhibitor" RELATED [ChEBI] synonym: "glycerol ester hydrolase inhibitors" RELATED [ChEBI] synonym: "glycerol-ester hydrolase inhibitor" RELATED [ChEBI] synonym: "glycerol-ester hydrolase inhibitors" RELATED [ChEBI] synonym: "heparin releasable hepatic lipase inhibitor" RELATED [ChEBI] synonym: "heparin releasable hepatic lipase inhibitors" RELATED [ChEBI] synonym: "hepatic lipase inhibitor" RELATED [ChEBI] synonym: "hepatic lipase inhibitors" RELATED [ChEBI] synonym: "hepatic monoacylglycerol acyltransferase inhibitor" RELATED [ChEBI] synonym: "hepatic monoacylglycerol acyltransferase inhibitors" RELATED [ChEBI] synonym: "lipase inhibitor" RELATED [ChEBI] synonym: "lipase inhibitors" RELATED [ChEBI] synonym: "lipazin inhibitor" RELATED [ChEBI] synonym: "lipazin inhibitors" RELATED [ChEBI] synonym: "liver lipase inhibitor" RELATED [ChEBI] synonym: "liver lipase inhibitors" RELATED [ChEBI] synonym: "pancreatic lipase inhibitor" RELATED [ChEBI] synonym: "pancreatic lipase inhibitors" RELATED [ChEBI] synonym: "pancreatic triacylglycerol lipase inhibitor" RELATED [ChEBI] synonym: "pancreatic triacylglycerol lipase inhibitors" RELATED [ChEBI] synonym: "post-heparin plasma protamine-resistant lipase inhibitor" RELATED [ChEBI] synonym: "post-heparin plasma protamine-resistant lipase inhibitors" RELATED [ChEBI] synonym: "PPL inhibitor" RELATED [ChEBI] synonym: "PPL inhibitors" RELATED [ChEBI] synonym: "salt-resistant post-heparin lipase inhibitor" RELATED [ChEBI] synonym: "salt-resistant post-heparin lipase inhibitors" RELATED [ChEBI] synonym: "steapsin inhibitor" RELATED [ChEBI] synonym: "steapsin inhibitors" RELATED [ChEBI] synonym: "triacetinase inhibitor" RELATED [ChEBI] synonym: "triacetinase inhibitors" RELATED [ChEBI] synonym: "triacylglycerol ester hydrolase inhibitor" RELATED [ChEBI] synonym: "triacylglycerol ester hydrolase inhibitors" RELATED [ChEBI] synonym: "triacylglycerol lipase (EC 3.1.1.3) inhibitor" RELATED [ChEBI] synonym: "triacylglycerol lipase (EC 3.1.1.3) inhibitors" RELATED [ChEBI] synonym: "triacylglycerol lipase inhibitor" RELATED [ChEBI] synonym: "triacylglycerol lipase inhibitors" RELATED [ChEBI] synonym: "tributyrase inhibitor" RELATED [ChEBI] synonym: "tributyrase inhibitors" RELATED [ChEBI] synonym: "tributyrin esterase inhibitor" RELATED [ChEBI] synonym: "tributyrin esterase inhibitors" RELATED [ChEBI] synonym: "tributyrinase inhibitor" RELATED [ChEBI] synonym: "tributyrinase inhibitors" RELATED [ChEBI] synonym: "triglyceridase inhibitor" RELATED [ChEBI] synonym: "triglyceridase inhibitors" RELATED [ChEBI] synonym: "triglyceride hydrolase inhibitor" RELATED [ChEBI] synonym: "triglyceride hydrolase inhibitors" RELATED [ChEBI] synonym: "triglyceride lipase inhibitor" RELATED [ChEBI] synonym: "triglyceride lipase inhibitors" RELATED [ChEBI] synonym: "triolein hydrolase inhibitor" RELATED [ChEBI] synonym: "triolein hydrolase inhibitors" RELATED [ChEBI] synonym: "Tween hydrolase inhibitor" RELATED [ChEBI] synonym: "Tween hydrolase inhibitors" RELATED [ChEBI] synonym: "tween-hydrolysing esterase inhibitor" RELATED [ChEBI] synonym: "tween-hydrolyzing esterase inhibitors" RELATED [ChEBI] synonym: "Tweenase inhibitor" RELATED [ChEBI] synonym: "Tweenase inhibitors" RELATED [ChEBI] synonym: "Tweenesterase inhibitor" RELATED [ChEBI] synonym: "Tweenesterase inhibitors" RELATED [ChEBI] is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:65023 name: anti-asthmatic agent namespace: chebi_ontology def: "Any compound that has anti-asthmatic effects." [] subset: 3_STAR synonym: "anti-asthmatic agents" RELATED [ChEBI] synonym: "antiasthmatic agent" RELATED [ChEBI] synonym: "antiasthmatic agents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:65053 name: EC 4.1.1.19 (arginine decarboxylase) inhibitor namespace: chebi_ontology def: "An EC 4.1.1.* (carboxy-lyase) inhibitor that interferes with the action of arginine decarboxylase (EC 4.1.1.19)." [] subset: 3_STAR synonym: "ADC inhibitor" RELATED [ChEBI] synonym: "ADC inhibitors" RELATED [ChEBI] synonym: "arginine decarboxylase (EC 4.1.1.19) inhibitor" RELATED [ChEBI] synonym: "arginine decarboxylase (EC 4.1.1.19) inhibitors" RELATED [ChEBI] synonym: "arginine decarboxylase inhibitor" RELATED [ChEBI] synonym: "arginine decarboxylase inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.19 (arginine decarboxylase) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.19 inhibitor" RELATED [ChEBI] synonym: "EC 4.1.1.19 inhibitors" RELATED [ChEBI] synonym: "L-arginine carboxy-lyase (agmatine-forming) inhibitor" RELATED [ChEBI] synonym: "L-arginine carboxy-lyase (agmatine-forming) inhibitors" RELATED [ChEBI] synonym: "L-arginine carboxy-lyase inhibitor" RELATED [ChEBI] synonym: "L-arginine carboxy-lyase inhibitors" RELATED [ChEBI] synonym: "SpeA inhibitor" RELATED [ChEBI] synonym: "SpeA inhibitors" RELATED [ChEBI] is_a: CHEBI:76906 ! EC 4.1.1.* (carboxy-lyase) inhibitor [Term] id: CHEBI:65056 name: EC 3.1.3.11 (fructose-bisphosphatase) inhibitor namespace: chebi_ontology def: "An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of fructose-bisphosphatase (EC 3.1.3.11)." [] subset: 3_STAR synonym: "D-fructose 1,6-diphosphatase inhibitor" RELATED [ChEBI] synonym: "D-fructose 1,6-diphosphatase inhibitors" RELATED [ChEBI] synonym: "D-fructose-1,6-bisphosphate 1-phosphohydrolase inhibitor" RELATED [ChEBI] synonym: "D-fructose-1,6-bisphosphate 1-phosphohydrolase inhibitors" RELATED [ChEBI] synonym: "D-fructose-1,6-bisphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "D-fructose-1,6-bisphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.11 (fructose-bisphosphatase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.11 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.11 inhibitors" RELATED [ChEBI] synonym: "FBPase inhibitor" RELATED [ChEBI] synonym: "FBPase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphatase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphate 1-phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphate 1-phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-diphosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-diphosphatase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-diphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-diphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose bisphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose bisphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose diphosphatase inhibitor" RELATED [ChEBI] synonym: "fructose diphosphatase inhibitors" RELATED [ChEBI] synonym: "fructose diphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose diphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose-bisphosphatase (EC 3.1.3.11) inhibitor" RELATED [ChEBI] synonym: "fructose-bisphosphatase (EC 3.1.3.11) inhibitors" RELATED [ChEBI] synonym: "fructose-bisphosphatase inhibitor" RELATED [ChEBI] synonym: "fructose-bisphosphatase inhibitors" RELATED [ChEBI] synonym: "hexose bisphosphatase inhibitor" RELATED [ChEBI] synonym: "hexose bisphosphatase inhibitors" RELATED [ChEBI] synonym: "hexose diphosphatase inhibitor" RELATED [ChEBI] xref: Wikipedia:Fructose_1\,6-bisphosphatase is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor [Term] id: CHEBI:65057 name: adenosine A1 receptor agonist namespace: chebi_ontology def: "An agonist at the A1 receptor." [] subset: 3_STAR synonym: "adenosine A1 receptor agonists" RELATED [ChEBI] xref: Wikipedia:Adenosine_A1_receptor is_a: CHEBI:73311 ! adenosine receptor agonist [Term] id: CHEBI:65255 name: food preservative namespace: chebi_ontology def: "Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes." [] subset: 3_STAR synonym: "food preservatives" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:65256 name: antimicrobial food preservative namespace: chebi_ontology def: "A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299)." [] subset: 3_STAR synonym: "antimicrobial food preservatives" RELATED [ChEBI] synonym: "antimicrobial preservative" RELATED [ChEBI] synonym: "antimicrobial preservatives" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent is_a: CHEBI:65255 ! food preservative [Term] id: CHEBI:65259 name: GABA antagonist namespace: chebi_ontology def: "A compound that inhibits the action of gamma-aminobutyric acid." [] subset: 3_STAR synonym: "GABA antagonists" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor antagonist" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor antagonists" RELATED [ChEBI] xref: Wikipedia:GABA_antagonist is_a: CHEBI:48706 ! antagonist is_a: CHEBI:51374 ! GABA agent [Term] id: CHEBI:65296 name: primary ammonium ion namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the nitrogen atom of a primary amine. Major species at pH 7.3." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "17.027" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[NH3+][*]" RELATED SMILES [ChEBI] synonym: "a primary amine" RELATED [UniProt] synonym: "H3NR" RELATED FORMULA [ChEBI] synonym: "substituted ammonium" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:32877 ! primary amine [Term] id: CHEBI:65327 name: D-xylose namespace: chebi_ontology def: "Any xylose with D-configuration." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "C10H15O5" RELATED FORMULA [ChEBI] xref: HMDB:HMDB00098 is_a: CHEBI:18222 ! xylose relationship: is_enantiomer_of CHEBI:65328 ! L-xylose [Term] id: CHEBI:65328 name: L-xylose namespace: chebi_ontology def: "Any xylose with L-configuration." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "150.12990" RELATED MASS [ChEBI] synonym: "C10H15O5" RELATED FORMULA [ChEBI] is_a: CHEBI:18222 ! xylose relationship: is_enantiomer_of CHEBI:65327 ! D-xylose [Term] id: CHEBI:6650 name: malic acid namespace: chebi_ontology def: "A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "134.022" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "134.08744" RELATED MASS [ChEBI] synonym: "2-Hydroxybutanedioic acid" RELATED [KEGG_COMPOUND] synonym: "2-hydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Hydroxyethane-1,2-dicarboxylic acid" RELATED [HMDB] synonym: "2-Hydroxysuccinic acid" RELATED [HMDB] synonym: "Aepfelsaeure" RELATED [ChEBI] synonym: "alpha-hydroxysuccinic acid" RELATED [HMDB] synonym: "apple acid" RELATED [NIST_Chemistry_WebBook] synonym: "BJEPYKJPYRNKOW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C4H6O5" RELATED FORMULA [KEGG_COMPOUND] synonym: "DL-Malic acid" RELATED [HMDB] synonym: "E296" RELATED [ChEBI] synonym: "H2mal" RELATED [IUPAC] synonym: "hydroxybutanedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "hydroxysuccinic acid" RELATED [NIST_Chemistry_WebBook] synonym: "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)" RELATED InChI [ChEBI] synonym: "Malic acid" EXACT [KEGG_COMPOUND] synonym: "OC(CC(O)=O)C(O)=O" RELATED SMILES [ChEBI] xref: Beilstein:1723539 "Beilstein" xref: CAS:6915-15-7 "ChemIDplus" xref: Gmelin:3325 "Gmelin" xref: HMDB:HMDB00744 xref: KEGG:C00711 xref: KEGG:D04843 xref: MetaCyc:RS-Malate xref: PMID:15767321 "Europe PMC" xref: PMID:17190852 "Europe PMC" xref: PMID:17439666 "Europe PMC" xref: PMID:17896933 "Europe PMC" xref: PMID:19743855 "Europe PMC" xref: PMID:22411507 "Europe PMC" xref: Reaxys:1723539 "Reaxys" xref: Wikipedia:Malic_acid is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid is_a: CHEBI:66873 ! C4-dicarboxylic acid relationship: has_functional_parent CHEBI:15741 ! succinic acid relationship: has_role CHEBI:64049 ! food acidity regulator relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:15595 ! malate(2-) [Term] id: CHEBI:66873 name: C4-dicarboxylic acid namespace: chebi_ontology def: "Any dicarboxylic acid that contains four carbon atoms." [] subset: 3_STAR synonym: "C4-dicarboxylic acids" RELATED [ChEBI] is_a: CHEBI:35692 ! dicarboxylic acid relationship: is_conjugate_acid_of CHEBI:61336 ! C4-dicarboxylate [Term] id: CHEBI:66916 name: alanine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of alanine; major species at pH 7.3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-ammoniopropanoate" RELATED [IUPAC] synonym: "2-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "89.048" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "89.09320" RELATED MASS [ChEBI] synonym: "C3H7NO2" RELATED FORMULA [ChEBI] synonym: "CC([NH3+])C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)" RELATED InChI [ChEBI] synonym: "QNAYBMKLOCPYGJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16449 ! alanine [Term] id: CHEBI:66952 name: homocysteinate namespace: chebi_ontology def: "An alpha-amino acid anion that is the conjugate base of homocysteine, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "134.028" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "134.17700" RELATED MASS [ChEBI] synonym: "2-amino-4-sulfanylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "C4H8NO2S" RELATED FORMULA [ChEBI] synonym: "FFFHZYDWPBMWHY-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/p-1" RELATED InChI [ChEBI] synonym: "NC(CCS)C([O-])=O" RELATED SMILES [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:17230 ! homocysteine [Term] id: CHEBI:66987 name: radiation protective agent namespace: chebi_ontology subset: 1_STAR synonym: "radiation protective agents" RELATED [ChEBI] synonym: "radiation protective drug" RELATED [ChEBI] synonym: "radiation protective drugs" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:66993 name: tocolytic agent namespace: chebi_ontology def: "Any compound used to suppress premature labour and immature birth by suppressing uterine contractions." [] subset: 3_STAR synonym: "anti-contraction drug" RELATED [ChEBI] synonym: "anti-contraction drugs" RELATED [ChEBI] synonym: "anti-contraction medication" RELATED [ChEBI] synonym: "anti-contraction medications" RELATED [ChEBI] synonym: "labour repressant" RELATED [ChEBI] synonym: "labour repressants" RELATED [ChEBI] synonym: "tocolytic" RELATED [ChEBI] synonym: "tocolytic agents" RELATED [ChEBI] synonym: "tocolytic drug" RELATED [ChEBI] synonym: "tocolytic drugs" RELATED [ChEBI] synonym: "tocolytics" RELATED [ChEBI] xref: Wikipedia:Tocolytic is_a: CHEBI:50689 ! reproductive control drug [Term] id: CHEBI:67040 name: S-adenosyl-L-methioninate namespace: chebi_ontology def: "A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "398.137" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "398.43700" RELATED MASS [ChEBI] synonym: "[(3S)-3-amino-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonioacetate" EXACT IUPAC_NAME [IUPAC] synonym: "AdoMet" RELATED [KEGG_COMPOUND] synonym: "C15H22N6O5S" RELATED FORMULA [ChEBI] synonym: "C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12" RELATED SMILES [ChEBI] synonym: "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1" RELATED InChI [ChEBI] synonym: "MEFKEPWMEQBLKI-AIRLBKTGSA-N" RELATED InChIKey [ChEBI] synonym: "S-Adenosylmethionine" RELATED [KEGG_COMPOUND] synonym: "SAM" RELATED [KEGG_COMPOUND] xref: CAS:29908-03-0 "KEGG COMPOUND" xref: Drug_Central:2414 "DrugCentral" xref: KEGG:C00019 xref: KNApSAcK:C00007347 xref: PDBeChem:SAM xref: PMID:25628954 "Europe PMC" is_a: CHEBI:35282 ! sulfonium betaine relationship: has_functional_parent CHEBI:32631 ! L-methioninate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15414 ! S-adenosyl-L-methionine [Term] id: CHEBI:67052 name: glyphosate(2-) namespace: chebi_ontology def: "An organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups of glyphosate." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "166.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "167.05720" RELATED MASS [ChEBI] synonym: "C3H6NO5P" RELATED FORMULA [ChEBI] synonym: "glyphosate anion(2-)" RELATED [ChEBI] synonym: "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-2" RELATED InChI [ChEBI] synonym: "OP([O-])(=O)CNCC([O-])=O" RELATED SMILES [ChEBI] synonym: "XDDAORKBJWWYJS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "{[(hydroxyphosphinato)methyl]amino}acetate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:133673 ! glyphosate(1-) relationship: is_conjugate_base_of CHEBI:27744 ! glyphosate [Term] id: CHEBI:67079 name: anti-inflammatory agent namespace: chebi_ontology def: "Any compound that has anti-inflammatory effects." [] subset: 3_STAR synonym: "anti-inflammatory agents" RELATED [ChEBI] synonym: "antiinflammatory agent" RELATED [ChEBI] synonym: "antiinflammatory agents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:67142 name: nucleobase analogue namespace: chebi_ontology def: "A molecule that can substitute for a normal nucleobase in nucleic acids." [] subset: 3_STAR synonym: "base analog" RELATED [ChEBI] synonym: "base analogs" RELATED [ChEBI] synonym: "base analogue" RELATED [ChEBI] synonym: "base analogues" RELATED [ChEBI] synonym: "nucleobase analog" RELATED [ChEBI] synonym: "nucleobase analogs" RELATED [ChEBI] synonym: "nucleobase analogues" RELATED [ChEBI] xref: Wikipedia:Base_analog is_a: CHEBI:33832 ! organic cyclic compound [Term] id: CHEBI:68452 name: azole namespace: chebi_ontology def: "Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen." [] subset: 3_STAR synonym: "azoles" RELATED [ChEBI] xref: Wikipedia:Azole is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38179 ! monocyclic heteroarene [Term] id: CHEBI:68495 name: apoptosis inducer namespace: chebi_ontology def: "Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms." [] subset: 3_STAR synonym: "apoptosis inducers" RELATED [ChEBI] synonym: "Type I cell-death inducer" RELATED [ChEBI] synonym: "Type I cell-death inducers" RELATED [ChEBI] synonym: "Type I programmed cell-death inducer" RELATED [ChEBI] synonym: "Type I programmed cell-death inducers" RELATED [ChEBI] is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:70709 name: progesterone receptor agonist namespace: chebi_ontology def: "A hormone agonist that binds to and activates progesterone receptors." [] subset: 3_STAR synonym: "PR agonist" RELATED [ChEBI] synonym: "PR agonists" RELATED [ChEBI] synonym: "progesterone receptor agonists" RELATED [ChEBI] is_a: CHEBI:51060 ! hormone agonist [Term] id: CHEBI:70727 name: topoisomerase inhibitor namespace: chebi_ontology def: "An EC 5.99.1.* (miscellaneous isomerase) inhibitor that interferes with the action of any of the topoisomerases (enzymes that regulate the overwinding or underwinding of DNA)." [] subset: 3_STAR synonym: "topoisomerase inhibitors" RELATED [ChEBI] xref: Wikipedia:Topoisomerase is_a: CHEBI:76830 ! EC 5.99.1.* (miscellaneous isomerase) inhibitor [Term] id: CHEBI:70770 name: Aurora kinase inhibitor namespace: chebi_ontology def: "Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation)." [] subset: 3_STAR synonym: "Aurora kinase inhibitors" RELATED [ChEBI] xref: PMID:19369091 "Europe PMC" xref: PMID:21147253 "Europe PMC" xref: PMID:22350019 "Europe PMC" is_a: CHEBI:37699 ! protein kinase inhibitor [Term] id: CHEBI:70977 name: alkane-alpha,omega-diammonium(2+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the amino groups of any alkane-alpha,omega-diamine; major species at pH 7.3." [] subset: 3_STAR synonym: "(CH2)n.C2H10N2" RELATED FORMULA [ChEBI] synonym: "+2" RELATED CHARGE [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:35411 ! alkane-alpha,omega-diamine [Term] id: CHEBI:71300 name: EC 2.* (transferase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that inhibits the action of a transferase (EC 2.*)" [] subset: 3_STAR synonym: "EC 2 inhibitor" RELATED [ChEBI] synonym: "EC 2 inhibitors" RELATED [ChEBI] synonym: "EC 2.* (transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.* inhibitor" RELATED [ChEBI] synonym: "EC 2.* inhibitors" RELATED [ChEBI] synonym: "transferase inhibitor" RELATED [ChEBI] synonym: "transferase inhibitors" RELATED [ChEBI] xref: Wikipedia:Transferase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:71315 name: N'-monoacetylchitobiose-6'-phosphate(1-) namespace: chebi_ontology def: "An organophosphate oxoanion that is the conjugate base of N-monoacetylchitobiose-6-phosphate, obtained by deprotonation of the phosphate OH groups and protonation of the free amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-acetamido-2-deoxy-6-O-phosphonato-beta-D-glucopyranosyl-(1->4)-2-azaniumyl-2-deoxy-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "4-O-(2-acetamido-2-deoxy-6-O-phosphonato-beta-D-glucopyranosyl)-2-azaniumyl-2-deoxy-D-glucopyranose" RELATED [IUPAC] synonym: "461.117" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "461.33560" RELATED MASS [ChEBI] synonym: "C14H26N2O13P" RELATED FORMULA [ChEBI] synonym: "CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H]1O[C@H]1[C@H](O)[C@@H]([NH3+])C(O)O[C@@H]1CO" RELATED SMILES [ChEBI] synonym: "InChI=1S/C14H27N2O13P/c1-4(18)16-8-11(21)9(19)6(3-26-30(23,24)25)28-14(8)29-12-5(2-17)27-13(22)7(15)10(12)20/h5-14,17,19-22H,2-3,15H2,1H3,(H,16,18)(H2,23,24,25)/p-1/t5-,6-,7-,8-,9-,10-,11-,12-,13?,14+/m1/s1" RELATED InChI [ChEBI] synonym: "N'-monoacetylchitobiose-6'-phosphate" RELATED [UniProt] synonym: "N-monoacetylchitobiose-6-phosphate" RELATED [MetaCyc] synonym: "N-monoacetylchitobiose-6-phosphate(1-)" RELATED [ChEBI] synonym: "YSOAJKLNVFWXBW-UEVOBBHASA-M" RELATED InChIKey [ChEBI] xref: MetaCyc:CPD0-2501 "SUBMITTER" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:71317 ! N'-monoacetylchitobiose-6'-phosphate [Term] id: CHEBI:71317 name: N'-monoacetylchitobiose-6'-phosphate namespace: chebi_ontology def: "A disaccharide phosphate that is N'-monoacetylchitobiose substituted at position 6' by a phospho group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-acetamido-2-deoxy-6-O-phospho-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "2-acetamido-2-deoxy-6-O-phospho-beta-D-glucosyl-(1->4)-2-amino-2-deoxy-D-glucose" RELATED [ChEBI] synonym: "4-O-(2-acetamido-2-deoxy-6-O-phospho-beta-D-glucopyranosyl)-2-amino-2-deoxy-D-glucopyranose" RELATED [IUPAC] synonym: "462.125" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "462.34350" RELATED MASS [ChEBI] synonym: "6-O-phospho-N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine" RELATED [ChEBI] synonym: "beta-D-GlcNAc-6P-(1->4)-D-GlcN" RELATED [ChEBI] synonym: "beta-D-GlcpNAc-6P-(1->4)-D-GlcpN" RELATED [ChEBI] synonym: "C14H27N2O13P" RELATED FORMULA [ChEBI] synonym: "CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1O[C@H]1[C@H](O)[C@@H](N)C(O)O[C@@H]1CO" RELATED SMILES [ChEBI] synonym: "InChI=1S/C14H27N2O13P/c1-4(18)16-8-11(21)9(19)6(3-26-30(23,24)25)28-14(8)29-12-5(2-17)27-13(22)7(15)10(12)20/h5-14,17,19-22H,2-3,15H2,1H3,(H,16,18)(H2,23,24,25)/t5-,6-,7-,8-,9-,10-,11-,12-,13?,14+/m1/s1" RELATED InChI [ChEBI] synonym: "N-monoacetylchitobiose-6-phosphate" RELATED [MetaCyc] synonym: "YSOAJKLNVFWXBW-UEVOBBHASA-N" RELATED InChIKey [ChEBI] xref: MetaCyc:CPD0-2501 is_a: CHEBI:22480 ! amino disaccharide is_a: CHEBI:23843 ! disaccharide phosphate relationship: has_functional_parent CHEBI:50675 ! beta-D-glucosaminyl-(1->4)-D-glucosamine relationship: is_conjugate_acid_of CHEBI:71315 ! N'-monoacetylchitobiose-6'-phosphate(1-) [Term] id: CHEBI:71338 name: autoinducer namespace: chebi_ontology def: "A signalling molecule produced and used by bacteria participating in quorum sensing, that is, in cell-cell communication to coordinate community-wide regulation of processes such as biofilm formation, virulence, and bioluminescence in populations of bacteria. Such communication can occur both within and between different species of bacteria." [] subset: 3_STAR synonym: "autoinducers" RELATED [ChEBI] xref: Wikipedia:Autoinducer is_a: CHEBI:62488 ! signalling molecule [Term] id: CHEBI:71339 name: novobiocin(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of novobiocin." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "611.224" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "611.61640" RELATED MASS [ChEBI] synonym: "C31H35N2O11" RELATED FORMULA [ChEBI] synonym: "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C" RELATED SMILES [ChEBI] synonym: "InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/p-1/t23-,25+,26-,29-/m1/s1" RELATED InChI [ChEBI] synonym: "novobiocin" RELATED [UniProt] synonym: "novobiocin anion" RELATED [ChEBI] synonym: "YJQPYGGHQPGBLI-KGSXXDOSSA-M" RELATED InChIKey [ChEBI] xref: PMID:20212112 "SUBMITTER" is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:28368 ! novobiocin [Term] id: CHEBI:71365 name: rifampicin zwitterion namespace: chebi_ontology def: "A zwitterion obtained by transfer of a proton from the 5-hydroxy group to the tertiary amino group of rifampicin." [] subset: 3_STAR synonym: "(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetoxy-6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{(E)-[(4-methylpiperazin-4-ium-1-yl)imino]methyl}-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-olate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "822.405" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "822.94020" RELATED MASS [ChEBI] synonym: "C43H58N4O12" RELATED FORMULA [ChEBI] synonym: "CO[C@H]1\\C=C\\O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(NC(=O)\\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\\C=N\\N1CC[NH+](C)CC1)c(O)c4c3C2=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1" RELATED InChI [ChEBI] synonym: "JQXXHWHPUNPDRT-WLSIYKJHSA-N" RELATED InChIKey [ChEBI] synonym: "rifampicin" RELATED [UniProt] is_a: CHEBI:27369 ! zwitterion relationship: is_tautomer_of CHEBI:28077 ! rifampicin [Term] id: CHEBI:71392 name: tetracycline(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of tetracycline obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group." [] subset: 3_STAR synonym: "(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "443.145" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "443.42660" RELATED MASS [ChEBI] synonym: "[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C" RELATED SMILES [ChEBI] synonym: "C22H23N2O8" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p-1/t9-,10-,15-,21+,22-/m0/s1" RELATED InChI [ChEBI] synonym: "OFVLGDICTFRJMM-WESIUVDSSA-M" RELATED InChIKey [ChEBI] synonym: "tetracycline anion" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:27902 ! tetracycline relationship: is_conjugate_base_of CHEBI:77932 ! tetracycline zwitterion [Term] id: CHEBI:71666 name: gamma-amino acid anion namespace: chebi_ontology def: "An amino-acid anion in which the amino group is situated gamma- to the carboxylate group." [] subset: 3_STAR synonym: "gamma-amino acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33707 ! gamma-amino acid [Term] id: CHEBI:71671 name: aldonate(1-) namespace: chebi_ontology def: "A carbohydrate acid anion obtained by deprotonation of any aldonic acid. Major structure at pH 7.3 of aldonate compounds." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "105.019" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "105.06940" RELATED MASS [ChEBI] synonym: "aldonates" RELATED [ChEBI] synonym: "an aldonate" RELATED [UniProt] synonym: "C3H5O4" RELATED FORMULA [ChEBI] is_a: CHEBI:33721 ! carbohydrate acid anion relationship: is_conjugate_acid_of CHEBI:22301 ! aldonic acid [Term] id: CHEBI:71674 name: D-galactosamine 6-phosphate(1-) namespace: chebi_ontology def: "An organophosphate oxoanion that is the conjugate base of D-galactosamine 6-phosphate, obtained by deprotonation of the phosphate OH groups and protonation of the 2-amino group. Major structure at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "2-azaniumyl-2-deoxy-6-O-phosphonato-D-galactopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "258.038" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "258.14310" RELATED MASS [ChEBI] synonym: "[NH3+][C@H]1C(O)O[C@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "C6H13NO8P" RELATED FORMULA [ChEBI] synonym: "D-galactosamine 6-phosphate" RELATED [UniProt] synonym: "InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/p-1/t2-,3-,4+,5-,6?/m1/s1" RELATED InChI [ChEBI] synonym: "XHMJOUIAFHJHBW-GASJEMHNSA-M" RELATED InChIKey [ChEBI] xref: MetaCyc:D-GALACTOSAMINE-6-PHOSPHATE "SUBMITTER" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:18232 ! D-galactosamine 6-phosphate [Term] id: CHEBI:71944 name: aldehydic acid anion namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of an aldehydic acid." [] subset: 3_STAR synonym: "aldehydic acid anions" RELATED [ChEBI] synonym: "semi-aldehyde anion" RELATED [ChEBI] synonym: "semi-aldehyde anions" RELATED [ChEBI] synonym: "semialdehyde anion" RELATED [ChEBI] synonym: "semialdehyde anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:26643 ! aldehydic acid [Term] id: CHEBI:71989 name: ortho ester namespace: chebi_ontology def: "Any organooxygen compound that has the general formula RC(OR(1))(OR(2))(OR(3)), where R(1), R(2), R(3) =/= H." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "59.985" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "60.00890" RELATED MASS [ChEBI] synonym: "[*]C(O[*])(O[*])O[*]" RELATED SMILES [ChEBI] synonym: "CO3R4" RELATED FORMULA [ChEBI] synonym: "ortho esters" RELATED [ChEBI] synonym: "ortho-ester" RELATED [ChEBI] synonym: "ortho-esters" RELATED [ChEBI] synonym: "orthoester" RELATED [ChEBI] synonym: "orthoesters" RELATED [ChEBI] xref: Wikipedia:Orthoester is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:7203 name: N-acetylhexosamine namespace: chebi_ontology subset: 2_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "221.090" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "221.208" RELATED MASS [KEGG_COMPOUND] synonym: "C8H15NO6" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(=O)NC1C(O)OC(CO)C(O)C1O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)" RELATED InChI [ChEBI] synonym: "N-Acetylhexosamine" EXACT [KEGG_COMPOUND] synonym: "OVRNDRQMDRJTHS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: KEGG:C02711 is_a: CHEBI:21656 ! N-acyl-hexosamine [Term] id: CHEBI:72544 name: flavonoids namespace: chebi_ontology def: "Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them." [] subset: 3_STAR synonym: "flavonoid" RELATED [ChEBI] xref: Wikipedia:Flavonoids is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:72588 name: semisynthetic derivative namespace: chebi_ontology def: "Any organic molecular entity derived from a natural product by partial chemical synthesis." [] subset: 3_STAR synonym: "semi-synthetic compound" RELATED [ChEBI] synonym: "semi-synthetic compounds" RELATED [ChEBI] synonym: "semi-synthetic derivative" RELATED [ChEBI] synonym: "semi-synthetic derivatives" RELATED [ChEBI] synonym: "semisynthetic compound" RELATED [ChEBI] synonym: "semisynthetic compounds" RELATED [ChEBI] synonym: "semisynthetic derivatives" RELATED [ChEBI] xref: Wikipedia:Semisynthesis is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:72695 name: organic molecule namespace: chebi_ontology def: "Any molecule that consists of at least one carbon atom as part of the electrically neutral entity." [] subset: 3_STAR synonym: "organic compound" RELATED [ChEBI] synonym: "organic compounds" RELATED [ChEBI] synonym: "organic molecules" RELATED [ChEBI] is_a: CHEBI:25367 ! molecule is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:72755 name: kanamycin C(4+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the primary amino groups of kanamycin C." [] subset: 3_STAR synonym: "(1R,2S,3S,4R,6S)-4,6-diazaniumyl-3-[(3-azaniumyl-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2-azaniumyl-2-deoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "+4" RELATED CHARGE [ChEBI] synonym: "488.269" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "488.53040" RELATED MASS [ChEBI] synonym: "[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[NH3+]" RELATED SMILES [ChEBI] synonym: "C18H40N4O11" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1" RELATED InChI [ChEBI] synonym: "kanamycin C" RELATED [UniProt] synonym: "kanamycin C tetracation" RELATED [ChEBI] synonym: "WZDRWYJKESFZMB-FQSMHNGLSA-R" RELATED InChIKey [ChEBI] xref: PMID:13563334 "SUBMITTER" xref: PMID:13587408 "SUBMITTER" is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:28185 ! kanamycin C [Term] id: CHEBI:72756 name: kanamycin X(3+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the primary amino groups of kanamycin X." [] subset: 3_STAR synonym: "(1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-(alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "+3" RELATED CHARGE [ChEBI] synonym: "488.246" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "488.50720" RELATED MASS [ChEBI] synonym: "[NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O" RELATED SMILES [ChEBI] synonym: "C18H38N3O12" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-11(26)8(21)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/p+3/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1" RELATED InChI [ChEBI] synonym: "kanamycin X" RELATED [UniProt] synonym: "kanamycin X trication" RELATED [ChEBI] synonym: "OHNBRQGGOHMIAP-NOAMYHISSA-Q" RELATED InChIKey [ChEBI] xref: MetaCyc:CPD-4824 "SUBMITTER" xref: PMID:21983602 "SUBMITTER" is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_base_of CHEBI:72797 ! kanamycin X [Term] id: CHEBI:72797 name: kanamycin X namespace: chebi_ontology def: "A kanamycin that is kanamycin A in which the 6'-amino group is replaced by a hydroxy group." [] subset: 3_STAR synonym: "(1S,2R,3R,4S,6R)-4,6-diamino-3-(alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "485.222" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "485.48340" RELATED MASS [ChEBI] synonym: "6'-deamino-6'-hydroxykanamycin A" RELATED [ChEBI] synonym: "C18H35N3O12" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-11(26)8(21)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1" RELATED InChI [ChEBI] synonym: "N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O" RELATED SMILES [ChEBI] synonym: "OHNBRQGGOHMIAP-NOAMYHISSA-N" RELATED InChIKey [ChEBI] xref: MetaCyc:CPD-4824 xref: PMID:21983602 "Europe PMC" is_a: CHEBI:24951 ! kanamycins relationship: has_functional_parent CHEBI:17630 ! kanamycin A relationship: is_conjugate_acid_of CHEBI:72756 ! kanamycin X(3+) [Term] id: CHEBI:72947 name: kanamycin D(3+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the primary amino groups of kanamycin D." [] subset: 3_STAR synonym: "(1S,2S,3R,4S,6R)-4,6-diazaniumyl-3-[(6-azaniumyl-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "+3" RELATED CHARGE [ChEBI] synonym: "488.246" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "488.50720" RELATED MASS [ChEBI] synonym: "[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "C18H38N3O12" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C18H35N3O12/c19-2-6-8(23)10(25)12(27)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)11(26)9(24)7(3-22)31-18/h4-18,22-29H,1-3,19-21H2/p+3/t4-,5+,6+,7+,8+,9+,10-,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1" RELATED InChI [ChEBI] synonym: "kanamycin D" RELATED [UniProt] synonym: "NZCOZAMBHLSNDW-HNDNCJINSA-Q" RELATED InChIKey [ChEBI] xref: MetaCyc:CPD-14138 "SUBMITTER" xref: PMID:22374809 "SUBMITTER" is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_base_of CHEBI:73079 ! kanamycin D [Term] id: CHEBI:73079 name: kanamycin D namespace: chebi_ontology def: "A kanamycin that is kanamycin A in which the 3''-amino group is replaced by a hydroxy group." [] subset: 3_STAR synonym: "(1S,2S,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "3''-deamino-3''-hydroxykanamycin A" RELATED [ChEBI] synonym: "485.222" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "485.48340" RELATED MASS [ChEBI] synonym: "C18H35N3O12" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C18H35N3O12/c19-2-6-8(23)10(25)12(27)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)11(26)9(24)7(3-22)31-18/h4-18,22-29H,1-3,19-21H2/t4-,5+,6+,7+,8+,9+,10-,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1" RELATED InChI [ChEBI] synonym: "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "NZCOZAMBHLSNDW-HNDNCJINSA-N" RELATED InChIKey [ChEBI] xref: MetaCyc:CPD-14138 xref: PMID:22374809 "Europe PMC" xref: PMID:9134733 "Europe PMC" is_a: CHEBI:24951 ! kanamycins relationship: has_functional_parent CHEBI:17630 ! kanamycin A relationship: is_conjugate_acid_of CHEBI:72947 ! kanamycin D(3+) [Term] id: CHEBI:73181 name: EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors namespace: chebi_ontology def: "An EC 1.11.1.* (peroxidases) inhibitor that inhibits the action of L-ascorbate peroxidase (EC 1.11.1.11)." [] subset: 3_STAR synonym: "ascorbate peroxidase inhibitor" RELATED [ChEBI] synonym: "ascorbate peroxidase inhibitors" RELATED [ChEBI] synonym: "ascorbic acid peroxidase inhibitor" RELATED [ChEBI] synonym: "ascorbic acid peroxidase inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors" EXACT [ChEBI] synonym: "EC 1.11.1.11 inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1.11 inhibitors" RELATED [ChEBI] synonym: "L-ascorbate peroxidase (EC 1.11.1.11) inhibitor" RELATED [ChEBI] synonym: "L-ascorbate peroxidase (EC 1.11.1.11) inhibitors" RELATED [ChEBI] synonym: "L-ascorbate peroxidase inhibitor" RELATED [ChEBI] synonym: "L-ascorbate peroxidase inhibitors" RELATED [ChEBI] synonym: "L-ascorbate:hydrogen-peroxide oxidoreductase inhibitor" RELATED [ChEBI] synonym: "L-ascorbate:hydrogen-peroxide oxidoreductase inhibitors" RELATED [ChEBI] synonym: "L-ascorbic acid peroxidase inhibitor" RELATED [ChEBI] synonym: "L-ascorbic acid peroxidase inhibitors" RELATED [ChEBI] synonym: "L-ascorbic acid-specific peroxidase inhibitor" RELATED [ChEBI] synonym: "L-ascorbic acid-specific peroxidase inhibitors" RELATED [ChEBI] xref: Wikipedia:L-ascorbate_peroxidase is_a: CHEBI:75381 ! EC 1.11.1.* (peroxidases) inhibitor [Term] id: CHEBI:73216 name: EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor namespace: chebi_ontology alt_id: CHEBI:76765 def: "Any hydrolase inhibitor that interferes with the action of a hydrolase which acts on acid anhydrides (EC 3.6.*.*)." [] subset: 3_STAR synonym: "acid anhydride hydrolase inhibitor" RELATED [ChEBI] synonym: "acid anhydride hydrolase inhibitors" RELATED [ChEBI] synonym: "EC 3.6 inhibitor" RELATED [ChEBI] synonym: "EC 3.6 inhibitors" RELATED [ChEBI] synonym: "EC 3.6.* (hydrolases acting on acid anhydrides) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.* inhibitor" RELATED [ChEBI] synonym: "EC 3.6.* inhibitors" RELATED [ChEBI] synonym: "EC 3.6.*.* inhibitor" RELATED [ChEBI] synonym: "EC 3.6.*.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of hydrolase acting on acid anhydride (EC 3.6.*)" RELATED [ChEBI] synonym: "inhibitors of hydrolase acting on acid anhydride (EC 3.6.*)" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:73267 name: oxidative phosphorylation inhibitor namespace: chebi_ontology def: "Any compound that inhibits oxidative phosphorylation." [] subset: 3_STAR synonym: "oxidative phosphorylation inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:73311 name: adenosine receptor agonist namespace: chebi_ontology def: "An agonist at any adenosine receptor." [] subset: 3_STAR synonym: "adenosine receptor agonist" EXACT [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:73336 name: vulnerary namespace: chebi_ontology def: "A drug used in treating and healing of wounds." [] subset: 3_STAR synonym: "vulneraries" RELATED [ChEBI] synonym: "wound-healing agent" RELATED [ChEBI] synonym: "wound-healing agents" RELATED [ChEBI] synonym: "wound-healing drug" RELATED [ChEBI] synonym: "wound-healing drugs" RELATED [ChEBI] xref: Wikipedia:Wound_healing is_a: CHEBI:23888 ! drug [Term] id: CHEBI:73474 name: acetylenic compound namespace: chebi_ontology def: "Any organic molecule containing a C#C bond." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "24.000" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]C#C[*]" RELATED SMILES [ChEBI] synonym: "acetylenic compounds" RELATED [ChEBI] synonym: "C#C containing compound" RELATED [ChEBI] synonym: "C#C containing compounds" RELATED [ChEBI] synonym: "C#C-containing compound" RELATED [ChEBI] synonym: "C#C-containing compounds" RELATED [ChEBI] synonym: "C2R2" RELATED FORMULA [ChEBI] is_a: CHEBI:72695 ! organic molecule [Term] id: CHEBI:73537 name: 1,8-naphthyridine derivative namespace: chebi_ontology def: "Any naphthyridine derivative that is a derivative of 1,8-naphthyridine." [] subset: 3_STAR synonym: "1,8-naphthyridine derivatives" RELATED [ChEBI] is_a: CHEBI:73539 ! naphthyridine derivative relationship: has_parent_hydride CHEBI:36628 ! 1,8-naphthyridine [Term] id: CHEBI:73539 name: naphthyridine derivative namespace: chebi_ontology def: "Any organonitrogen heterocyclic compound that is a derivative of a naphthyridine." [] subset: 3_STAR synonym: "naphthyridine derivatives" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound relationship: has_parent_hydride CHEBI:36624 ! naphthyridine [Term] id: CHEBI:73690 name: erythrose 4-phosphate/phosphoenolpyruvate family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is biosynthesised from erythrose 4-phosphate and phosphoenolpyruvate (i.e. phenylalanine, tyrosine, and tryptophan). A closed class." [] subset: 3_STAR synonym: "erythrose 4-phosphate and phosphoenolpyruvate family amino acid" RELATED [ChEBI] synonym: "erythrose 4-phosphate and phosphoenolpyruvate family amino acids" RELATED [ChEBI] synonym: "erythrose 4-phosphate family amino acid" RELATED [ChEBI] synonym: "erythrose 4-phosphate family amino acids" RELATED [ChEBI] synonym: "erythrose 4-phosphate/phosphoenolpyruvate family amino acids" RELATED [ChEBI] synonym: "phosphoenolpyruvate family amino acid" RELATED [ChEBI] synonym: "phosphoenolpyruvate family amino acids" RELATED [ChEBI] is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:73693 name: ketone body namespace: chebi_ontology def: "A carbonyl compound produced as a water-soluble byproduct when fatty acids are broken down for energy in the liver. There are three endogenous ketone bodies: acetone, acetoacetic acid, and (R)-3-hydroxybutyric acid; others may be produced as a result of the metabolism of synthetic triglycerides." [] subset: 3_STAR synonym: "ketone bodies" RELATED [ChEBI] xref: PMID:10634967 "Europe PMC" xref: PMID:19159745 "Europe PMC" xref: PMID:22259088 "Europe PMC" xref: PMID:22268909 "Europe PMC" xref: PMID:22524563 "Europe PMC" xref: PMID:22879057 "Europe PMC" xref: PMID:23082721 "Europe PMC" xref: PMID:23148246 "Europe PMC" xref: PMID:23396451 "Europe PMC" xref: PMID:23466063 "Europe PMC" xref: PMID:23557707 "Europe PMC" xref: Wikipedia:Ketone_body is_a: CHEBI:36586 ! carbonyl compound is_a: CHEBI:61697 ! fatty acid derivative relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:63726 ! neuroprotective agent [Term] id: CHEBI:73754 name: thiosugar namespace: chebi_ontology def: "A carbohydrate derivative in which one or more of the oxygens or hydroxy groups of the parent carbohydrate is replaced by sulfur or -SR, where R can be hydrogen or any group." [] subset: 3_STAR synonym: "thiosugars" RELATED [ChEBI] xref: PMID:16240117 "Europe PMC" xref: PMID:23330717 "Europe PMC" is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:74213 name: EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor namespace: chebi_ontology def: "An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that inhibits the action of ribonucleoside-diphosphate reductase (EC 1.17.4.1)." [] subset: 3_STAR synonym: "2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "ADP reductase inhibitor" RELATED [ChEBI] synonym: "ADP reductase inhibitors" RELATED [ChEBI] synonym: "CDP reductase inhibitor" RELATED [ChEBI] synonym: "CDP reductase inhibitors" RELATED [ChEBI] synonym: "EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.4.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.17.4.1 inhibitors" RELATED [ChEBI] synonym: "nucleoside diphosphate reductase inhibitor" RELATED [ChEBI] synonym: "nucleoside diphosphate reductase inhibitors" RELATED [ChEBI] synonym: "ribonucleoside diphosphate reductase inhibitor" RELATED [ChEBI] synonym: "ribonucleoside diphosphate reductase inhibitors" RELATED [ChEBI] synonym: "ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitor" RELATED [ChEBI] synonym: "ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitors" RELATED [ChEBI] synonym: "ribonucleoside-diphosphate reductase inhibitor" RELATED [ChEBI] synonym: "ribonucleoside-diphosphate reductase inhibitors" RELATED [ChEBI] synonym: "ribonucleotide diphosphate reductase inhibitor" RELATED [ChEBI] synonym: "ribonucleotide diphosphate reductase inhibitors" RELATED [ChEBI] synonym: "ribonucleotide reductase inhibitor" RELATED [ChEBI] synonym: "ribonucleotide reductase inhibitors" RELATED [ChEBI] synonym: "RR inhibitor" RELATED [ChEBI] synonym: "RR inhibitors" RELATED [ChEBI] synonym: "UDP reductase inhibitor" RELATED [ChEBI] synonym: "UDP reductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Ribonucleoside-diphosphate_reductase is_a: CHEBI:76848 ! EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor [Term] id: CHEBI:74324 name: L-glyceric acid namespace: chebi_ontology def: "An optically active form of glyceric acid having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,3-dihydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-Glyceric acid" RELATED [HMDB] synonym: "0" RELATED CHARGE [ChEBI] synonym: "106.027" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "106.07730" RELATED MASS [ChEBI] synonym: "C3H6O4" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1" RELATED InChI [ChEBI] synonym: "OC[C@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "RBNPOMFGQQGHHO-REOHCLBHSA-N" RELATED InChIKey [ChEBI] xref: CAS:28305-26-2 "ChemIDplus" xref: HMDB:HMDB06372 xref: Reaxys:1721419 "Reaxys" is_a: CHEBI:33508 ! glyceric acid relationship: is_enantiomer_of CHEBI:32398 ! D-glyceric acid [Term] id: CHEBI:74337 name: D-asparagine zwitterion namespace: chebi_ontology def: "A D-alpha-amino acid zwitterion that is D-asparagine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-4-amino-2-ammonio-4-oxobutanoate" RELATED [IUPAC] synonym: "(2R)-4-amino-2-azaniumyl-4-oxobutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "132.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "132.11790" RELATED MASS [ChEBI] synonym: "C4H8N2O3" RELATED FORMULA [ChEBI] synonym: "D-asparagine" RELATED [UniProt] synonym: "DCXYFEDJOCDNAF-UWTATZPHSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1" RELATED InChI [ChEBI] synonym: "NC(=O)C[C@@H]([NH3+])C([O-])=O" RELATED SMILES [ChEBI] is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:28159 ! D-asparagine [Term] id: CHEBI:74345 name: 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea namespace: chebi_ontology def: "An imidazolidinone that is imidazolin-2-one substituted at positions 4 and 5 by hydroxy and ureido groups respectively." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1-(5-hydroxy-2-oxo-2,3-dihydro-1H-imidazol-4-yl)urea" EXACT IUPAC_NAME [IUPAC] synonym: "158.044" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "158.11540" RELATED MASS [ChEBI] synonym: "2-oxo-4-hydroxy-5-ureidoimidazoline" RELATED [ChEBI] synonym: "allantoin, enol-form" RELATED [ChEBI] synonym: "C4H6N4O3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h9H,(H3,5,6,10)(H2,7,8,11)" RELATED InChI [ChEBI] synonym: "MLVVTNIFHMERMU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "NC(=O)Nc1[nH]c(=O)[nH]c1O" RELATED SMILES [ChEBI] xref: PMID:20826786 "SUBMITTER" is_a: CHEBI:47857 ! ureas is_a: CHEBI:55370 ! imidazolidinone relationship: has_functional_parent CHEBI:27612 ! hydantoin relationship: is_tautomer_of CHEBI:15676 ! allantoin [Term] id: CHEBI:74529 name: antidote to paracetamol poisoning namespace: chebi_ontology def: "A role borne by a molecule that acts to counteract or neutralize the deleterious effects of paracetamol (acetaminophen)." [] subset: 3_STAR synonym: "acetaminophen poisoning antidote" RELATED [ChEBI] synonym: "acetaminophen poisoning antidotes" RELATED [ChEBI] synonym: "antidote to acetaminophen poisoning" RELATED [ChEBI] synonym: "antidote to Tylenol poisoning" RELATED [ChEBI] synonym: "antidotes to acetaminophen poisoning" RELATED [ChEBI] synonym: "antidotes to paracetamol poisoning" RELATED [ChEBI] synonym: "antidotes to Tylenol poisoning" RELATED [ChEBI] synonym: "paracetamol poisoning antidote" RELATED [ChEBI] synonym: "paracetamol poisoning antidotes" RELATED [ChEBI] synonym: "Tylenol poisoning antidote" RELATED [ChEBI] synonym: "Tylenol poisoning antidotes" RELATED [ChEBI] xref: PMID:16354242 "Europe PMC" xref: PMID:16573399 "Europe PMC" xref: PMID:16575097 "Europe PMC" xref: PMID:22348679 "Europe PMC" xref: PMID:22352734 "Europe PMC" xref: PMID:22353666 "Europe PMC" xref: PMID:22835053 "Europe PMC" xref: PMID:22998987 "Europe PMC" xref: PMID:7112203 "Europe PMC" is_a: CHEBI:50247 ! antidote [Term] id: CHEBI:74711 name: 3,6-diaminoacridine(1+) namespace: chebi_ontology def: "An acridinium ion resulting from the protonation of the endocyclic nitrogen of 3,6-diaminoacridine." [] subset: 3_STAR synonym: "+1" RELATED CHARGE [ChEBI] synonym: "210.103" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "210.25450" RELATED MASS [ChEBI] synonym: "3,6-diaminoacridinium" EXACT IUPAC_NAME [IUPAC] synonym: "C13H12N3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+1" RELATED InChI [ChEBI] synonym: "Nc1ccc2cc3ccc(N)cc3[nH+]c2c1" RELATED SMILES [ChEBI] synonym: "WDVSHHCDHLJJJR-UHFFFAOYSA-O" RELATED InChIKey [ChEBI] is_a: CHEBI:52839 ! acridinium ion relationship: is_conjugate_acid_of CHEBI:8452 ! 3,6-diaminoacridine relationship: is_conjugate_base_of CHEBI:74713 ! 3,6-diaminoacridine(2+) [Term] id: CHEBI:74713 name: 3,6-diaminoacridine(2+) namespace: chebi_ontology def: "An acridinium ion resulting from the protonation of the endocyclic nitrogen and one of the amino groups of 3,6-diaminoacridine." [] subset: 3_STAR synonym: "+2" RELATED CHARGE [ChEBI] synonym: "211.111" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "211.26240" RELATED MASS [ChEBI] synonym: "3-amino-6-ammonioacridinium" EXACT IUPAC_NAME [IUPAC] synonym: "C13H13N3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+2" RELATED InChI [ChEBI] synonym: "Nc1ccc2cc3ccc([NH3+])cc3[nH+]c2c1" RELATED SMILES [ChEBI] synonym: "WDVSHHCDHLJJJR-UHFFFAOYSA-P" RELATED InChIKey [ChEBI] is_a: CHEBI:52839 ! acridinium ion relationship: is_conjugate_acid_of CHEBI:74711 ! 3,6-diaminoacridine(1+) [Term] id: CHEBI:74783 name: astringent namespace: chebi_ontology def: "A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions." [] subset: 3_STAR synonym: "adstringent" RELATED [ChEBI] synonym: "adstringents" RELATED [ChEBI] synonym: "astringents" RELATED [ChEBI] xref: Wikipedia:Astringent is_a: CHEBI:23888 ! drug [Term] id: CHEBI:75092 name: morin namespace: chebi_ontology alt_id: CHEBI:6998 def: "A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2',3,4',5,7-Pentahydroxyflavone" RELATED [ChemIDplus] synonym: "2',4',3,5,7-Pentahydroxyflavone" RELATED [ChemIDplus] synonym: "2',4',5,7-Tetrahydroxyflavan-3-ol" RELATED [ChemIDplus] synonym: "2',4',5,7-Tetrahydroxyflavonol" RELATED [HMDB] synonym: "2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one" RELATED [HMDB] synonym: "2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "3,5,7,2',4'-Pentahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "302.043" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "302.23570" RELATED MASS [ChEBI] synonym: "C.I.Natural Yellow 8" RELATED [KEGG_COMPOUND] synonym: "C15H10O7" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H" RELATED InChI [ChEBI] synonym: "Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O" RELATED SMILES [ChEBI] synonym: "YXOLAZRVSSWPPT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:480-16-0 "KEGG COMPOUND" xref: HMDB:HMDB30796 xref: KEGG:C10105 xref: KNApSAcK:C00004624 xref: LINCS:LSM-36988 xref: LIPID_MAPS_instance:LMPK12112517 "LIPID MAPS" xref: PMID:15516722 "Europe PMC" xref: PMID:16806951 "Europe PMC" xref: PMID:18629640 "Europe PMC" xref: PMID:19539802 "Europe PMC" xref: PMID:19774509 "Europe PMC" xref: PMID:22740350 "Europe PMC" xref: PMID:23030699 "Europe PMC" xref: PMID:23254912 "Europe PMC" xref: PMID:23279849 "Europe PMC" xref: PMID:23352912 "Europe PMC" xref: PMID:23384060 "Europe PMC" xref: PMID:23432089 "Europe PMC" xref: PMID:23590821 "Europe PMC" xref: PMID:23757948 "Europe PMC" xref: PMID:23952478 "Europe PMC" xref: Reaxys:327474 "Reaxys" xref: Wikipedia:Morin_(flavonol) is_a: CHEBI:25883 ! pentahydroxyflavone is_a: CHEBI:52267 ! 7-hydroxyflavonol relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:50276 ! EC 5.99.1.2 (DNA topoisomerase) inhibitor relationship: has_role CHEBI:50926 ! angiogenesis modulating agent relationship: has_role CHEBI:62868 ! hepatoprotective agent relationship: has_role CHEBI:63726 ! neuroprotective agent relationship: has_role CHEBI:67079 ! anti-inflammatory agent [Term] id: CHEBI:75215 name: sodium molybdate (anhydrous) namespace: chebi_ontology def: "An inorganic sodium salt having molybdate as the counterion." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "205.92000" RELATED MASS [ChEBI] synonym: "207.865" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[Na+].[Na+].[O-][Mo]([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "Disodium molybdate" RELATED [ChemIDplus] synonym: "disodium tetraoxomolybdate" RELATED [ChEBI] synonym: "InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1" RELATED InChI [ChEBI] synonym: "Molybdic acid, disodium salt" RELATED [ChemIDplus] synonym: "MoNa2O4" RELATED FORMULA [ChEBI] synonym: "Na2MoO4" RELATED [ChEBI] synonym: "Natriummolybdat" RELATED [ChemIDplus] synonym: "sodium dioxido(dioxo)molybdenum" EXACT IUPAC_NAME [IUPAC] synonym: "sodium molybdate" RELATED [ChEBI] synonym: "sodium molybdate (anh.)" RELATED [ChEBI] synonym: "Sodium molybdate(VI)" RELATED [KEGG_COMPOUND] synonym: "sodium orthomolybdate" RELATED [ChEBI] synonym: "TVXXNOYZHKPKGW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: CAS:7631-95-0 "KEGG COMPOUND" xref: KEGG:C15455 xref: Reaxys:11323078 "Reaxys" xref: Wikipedia:Sodium_molybdate is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_part CHEBI:36264 ! molybdate relationship: has_role CHEBI:64909 ! poison [Term] id: CHEBI:75381 name: EC 1.11.1.* (peroxidases) inhibitor namespace: chebi_ontology def: "An EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor that interferes with the action of any of the peroxidases (EC 1.11.1.*)." [] subset: 3_STAR synonym: "EC 1.11.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1 inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.* (peroxidase) inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1.* (peroxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.* (peroxidases) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of peroxidases" RELATED [ChEBI] synonym: "inhibitors of peroxidases" RELATED [ChEBI] synonym: "peroxidases inhibitors" RELATED [ChEBI] xref: Wikipedia:Peroxidases is_a: CHEBI:76738 ! EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor [Term] id: CHEBI:75416 name: EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor namespace: chebi_ontology def: "An EC 6.1.* (C-O bond-forming ligase) inhibitor that interferes with the action of any ligase forming aminoacyl tRNA and related compounds (EC 6.1.1.*)." [] subset: 3_STAR synonym: "aminoacyl tRNA synthetase inhibitor" RELATED [ChEBI] synonym: "aminoacyl tRNA synthetase inhibitors" RELATED [ChEBI] synonym: "EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitors" RELATED [ChEBI] synonym: "EC 6.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 6.1.1.* inhibitors" RELATED [ChEBI] synonym: "ligases forming aminoacyl tRNA and related compounds (EC 6.1.1.*) inhibitor" RELATED [ChEBI] synonym: "ligases forming aminoacyl tRNA and related compounds (EC 6.1.1.*) inhibitors" RELATED [ChEBI] synonym: "tRNA synthetase inhibitor" RELATED [ChEBI] synonym: "tRNA synthetase inhibitors" RELATED [ChEBI] is_a: CHEBI:76706 ! EC 6.1.* (C-O bond-forming ligase) inhibitor [Term] id: CHEBI:75458 name: carbonyl cyanide p-trifluoromethoxyphenylhydrazone namespace: chebi_ontology def: "A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "254.042" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "254.16810" RELATED MASS [ChEBI] synonym: "BMZRVOVNUMQTIN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C10H5F3N4O" RELATED FORMULA [ChEBI] synonym: "Carbonyl cyanide 4-trifluoromethoxyphenylhydrazone" RELATED [ChemIDplus] synonym: "FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1" RELATED SMILES [ChEBI] synonym: "FCCP" RELATED [ChemIDplus] synonym: "InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H" RELATED InChI [ChEBI] synonym: "{[4-(trifluoromethoxy)phenyl]hydrazono}malononitrile" EXACT IUPAC_NAME [IUPAC] xref: CAS:370-86-5 "ChemIDplus" xref: LINCS:LSM-2317 xref: MetaCyc:CPD-10715 xref: Patent:US2002045621 xref: Patent:WO2007016419 xref: PMID:20445170 "Europe PMC" xref: PMID:21308897 "Europe PMC" xref: PMID:22343009 "Europe PMC" xref: PMID:23376234 "Europe PMC" xref: PMID:23376829 "Europe PMC" xref: PMID:23529126 "Europe PMC" xref: PMID:23626747 "Europe PMC" xref: PMID:23645464 "Europe PMC" xref: PMID:23830853 "Europe PMC" xref: PMID:23832656 "Europe PMC" xref: PMID:23851285 "Europe PMC" xref: PMID:23876326 "Europe PMC" xref: PMID:23891695 "Europe PMC" xref: Reaxys:4693268 "Reaxys" xref: Wikipedia:Carbonyl_cyanide-p-trifluoromethoxyphenylhydrazone is_a: CHEBI:18379 ! nitrile is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:38532 ! hydrazone relationship: has_functional_parent CHEBI:33189 ! hydrazonomalononitrile relationship: has_role CHEBI:20854 ! ATP synthase inhibitor relationship: has_role CHEBI:24869 ! ionophore [Term] id: CHEBI:75494 name: serine hydroxamate namespace: chebi_ontology def: "A hydroxamic acid obtained by formal condensation of the carboxy group of serine with the amino group of hydroxylamine." [] subset: 3_STAR synonym: "(+-)-serine hydroxamate" RELATED [ChEBI] synonym: "0" RELATED CHARGE [ChEBI] synonym: "120.053" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "120.10720" RELATED MASS [ChEBI] synonym: "2-Amino-N,3-dihydroxypropanamide" RELATED [ChemIDplus] synonym: "C3H8N2O3" RELATED FORMULA [ChEBI] synonym: "DL-serine hydroxamate" RELATED [ChEBI] synonym: "InChI=1S/C3H8N2O3/c4-2(1-6)3(7)5-8/h2,6,8H,1,4H2,(H,5,7)" RELATED InChI [ChEBI] synonym: "LELJBJGDDGUFRP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "N-hydroxyserinamide" EXACT IUPAC_NAME [IUPAC] synonym: "NC(CO)C(=O)NO" RELATED SMILES [ChEBI] xref: CAS:4370-83-6 "ChemIDplus" xref: colombos:SHX xref: MetaCyc:CPD0-1378 xref: PMID:12501374 "Europe PMC" xref: PMID:18612598 "Europe PMC" xref: PMID:19245839 "Europe PMC" xref: PMID:4576413 "Europe PMC" xref: PMID:4934071 "Europe PMC" xref: PMID:6175641 "Europe PMC" xref: PMID:6210344 "Europe PMC" xref: PMID:7686490 "Europe PMC" xref: Reaxys:2429002 "Reaxys" is_a: CHEBI:24650 ! hydroxamic acid is_a: CHEBI:26649 ! serine derivative relationship: has_role CHEBI:75495 ! EC 6.1.1.11 (serine--tRNA ligase) inhibitor [Term] id: CHEBI:75495 name: EC 6.1.1.11 (serine--tRNA ligase) inhibitor namespace: chebi_ontology def: "An EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor that specifically inhibits the action of seryl-tRNA synthetase (EC 6.1.1.11)." [] subset: 3_STAR synonym: "EC 6.1.1.11 (serine--tRNA ligase) inhibitor" EXACT [ChEBI] synonym: "EC 6.1.1.11 (serine--tRNA ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.1.1.11 inhibitor" RELATED [ChEBI] synonym: "EC 6.1.1.11 inhibitors" RELATED [ChEBI] synonym: "L-serine:tRNA(Ser) ligase (AMP-forming) inhibitor" RELATED [ChEBI] synonym: "L-serine:tRNA(Ser) ligase (AMP-forming) inhibitors" RELATED [ChEBI] synonym: "serine translase inhibitor" RELATED [ChEBI] synonym: "serine translase inhibitors" RELATED [ChEBI] synonym: "serine--tRNA ligase (EC 6.1.1.11) inhibitor" RELATED [ChEBI] synonym: "serine--tRNA ligase (EC 6.1.1.11) inhibitors" RELATED [ChEBI] synonym: "serine--tRNA ligase inhibitor" RELATED [ChEBI] synonym: "serine--tRNA ligase inhibitors" RELATED [ChEBI] synonym: "SerRS inhibitor" RELATED [ChEBI] synonym: "SerRS inhibitors" RELATED [ChEBI] synonym: "seryl-transfer ribonucleate synthetase inhibitor" RELATED [ChEBI] synonym: "seryl-transfer ribonucleate synthetase inhibitors" RELATED [ChEBI] synonym: "seryl-transfer ribonucleic acid synthetase inhibitor" RELATED [ChEBI] synonym: "seryl-transfer ribonucleic acid synthetase inhibitors" RELATED [ChEBI] synonym: "seryl-transfer RNA synthetase inhibitor" RELATED [ChEBI] synonym: "seryl-transfer RNA synthetase inhibitors" RELATED [ChEBI] synonym: "seryl-tRNA synthetase inhibitor" RELATED [ChEBI] synonym: "seryl-tRNA synthetase inhibitors" RELATED [ChEBI] xref: Wikipedia:Serine-tRNA_ligase is_a: CHEBI:75416 ! EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor [Term] id: CHEBI:75596 name: EC 5.* (isomerase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that inhibits the action of an isomerase (EC 5.*.*.*)." [] subset: 3_STAR synonym: "EC 5.* (isomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.* inhibitor" RELATED [ChEBI] synonym: "EC 5.* inhibitors" RELATED [ChEBI] synonym: "EC 5.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 5.*.*.* inhibitors" RELATED [ChEBI] synonym: "isomerase (EC 5.*) inhibitor" RELATED [ChEBI] synonym: "isomerase (EC 5.*) inhibitors" RELATED [ChEBI] synonym: "isomerase inhibitor" RELATED [ChEBI] synonym: "isomerase inhibitors" RELATED [ChEBI] is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:75603 name: EC 6.* (ligase) inhibitor namespace: chebi_ontology def: "Any enzyme inhibitor that interferes with the action of a ligase (EC 6.*.*.*). Ligases are enzymes that catalyse the joining of two molecules with concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate." [] subset: 3_STAR synonym: "EC 6.* (ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.* inhibitor" RELATED [ChEBI] synonym: "EC 6.* inhibitors" RELATED [ChEBI] synonym: "EC 6.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 6.*.*.* inhibitors" RELATED [ChEBI] synonym: "ligase inhibitor" RELATED [ChEBI] synonym: "ligase inhibitors" RELATED [ChEBI] xref: Wikipedia:Ligase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:75604 name: EC 6.4.* (C-C bond-forming ligase) inhibitor namespace: chebi_ontology def: "A ligase inhibitor that interferes with the action of a C-C bond-forming ligase (EC 6.4.*.*)." [] subset: 3_STAR synonym: "C--C bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C--C bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "C-C bond-forming ligase (EC 6.4.*) inhibitor" RELATED [ChEBI] synonym: "C-C bond-forming ligase (EC 6.4.*) inhibitorS" RELATED [ChEBI] synonym: "C-C bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C-C bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "EC 6.4.* (C-C bond-forming ligase) inhibitorS" RELATED [ChEBI] synonym: "EC 6.4.* inhibitor" RELATED [ChEBI] synonym: "EC 6.4.* inhibitors" RELATED [ChEBI] synonym: "EC 6.4.*.* inhibitor" RELATED [ChEBI] synonym: "EC 6.4.*.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor [Term] id: CHEBI:75763 name: eukaryotic metabolite namespace: chebi_ontology def: "Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms." [] subset: 3_STAR synonym: "eukaryotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:75767 name: animal metabolite namespace: chebi_ontology alt_id: CHEBI:77721 alt_id: CHEBI:77743 def: "Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals." [] subset: 3_STAR synonym: "animal metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:75768 name: mammalian metabolite namespace: chebi_ontology alt_id: CHEBI:77464 alt_id: CHEBI:77744 def: "Any animal metabolite produced during a metabolic reaction in mammals." [] subset: 3_STAR synonym: "mammalian metabolites" RELATED [ChEBI] is_a: CHEBI:75767 ! animal metabolite [Term] id: CHEBI:75769 name: B vitamin namespace: chebi_ontology def: "Any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises vitamin B1, B2, B3, B5, B6, B7, B9, and B12. (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such.)" [] subset: 3_STAR synonym: "B vitamins" RELATED [ChEBI] synonym: "B-group vitamin" RELATED [ChEBI] synonym: "B-group vitamins" RELATED [ChEBI] synonym: "vitamin B" RELATED [ChEBI] xref: PMID:22743781 "Europe PMC" xref: PMID:23093174 "Europe PMC" xref: PMID:23238962 "Europe PMC" xref: PMID:23449527 "Europe PMC" xref: PMID:23462586 "Europe PMC" xref: PMID:23690582 "Europe PMC" xref: Wikipedia:B_vitamin is_a: CHEBI:27314 ! water-soluble vitamin is_a: CHEBI:50733 ! nutraceutical [Term] id: CHEBI:75771 name: mouse metabolite namespace: chebi_ontology def: "Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus)." [] subset: 3_STAR synonym: "mouse metabolites" RELATED [ChEBI] synonym: "Mus musculus metabolite" RELATED [ChEBI] synonym: "Mus musculus metabolites" RELATED [ChEBI] is_a: CHEBI:75768 ! mammalian metabolite [Term] id: CHEBI:75772 name: Saccharomyces cerevisiae metabolite namespace: chebi_ontology alt_id: CHEBI:76949 alt_id: CHEBI:76951 def: "Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae)." [] subset: 3_STAR synonym: "baker's yeast metabolite" RELATED [ChEBI] synonym: "baker's yeast metabolites" RELATED [ChEBI] synonym: "baker's yeast secondary metabolite" RELATED [ChEBI] synonym: "baker's yeast secondary metabolites" RELATED [ChEBI] synonym: "S. cerevisiae metabolite" RELATED [ChEBI] synonym: "S. cerevisiae metabolites" RELATED [ChEBI] synonym: "S. cerevisiae secondary metabolite" RELATED [ChEBI] synonym: "S. cerevisiae secondary metabolites" RELATED [ChEBI] synonym: "Saccharomyces cerevisiae metabolites" RELATED [ChEBI] synonym: "Saccharomyces cerevisiae secondary metabolites" RELATED [ChEBI] is_a: CHEBI:76946 ! fungal metabolite [Term] id: CHEBI:75787 name: prokaryotic metabolite namespace: chebi_ontology def: "Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea." [] subset: 3_STAR synonym: "prokaryotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:75832 name: iron(2+) sulfate (anhydrous) namespace: chebi_ontology def: "A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "151.887" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "151.90800" RELATED MASS [ChEBI] synonym: "[Fe++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "BAUYGSIQEAFULO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "Fe(II)SO4" RELATED [ChEBI] synonym: "FeO4S" RELATED FORMULA [ChEBI] synonym: "ferrous sulfate" RELATED [ChemIDplus] synonym: "ferrous sulfate (anh.)" RELATED [ChEBI] synonym: "ferrous sulfate (anhydrous)" RELATED [ChEBI] synonym: "ferrous sulfate anhydrous" RELATED [ChemIDplus] synonym: "FeSO4" RELATED [ChEBI] synonym: "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI] synonym: "iron sulfate (1:1)" RELATED [ChemIDplus] synonym: "iron(2+) sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "iron(2+) sulfate (anh.)" RELATED [ChEBI] synonym: "iron(II) sulfate" RELATED [ChEBI] synonym: "iron(II) sulfate (1:1)" RELATED [ChemIDplus] xref: CAS:7720-78-7 "ChemIDplus" xref: colombos:FeSO4 xref: MetaCyc:CPD0-2386 xref: Reaxys:4933679 "Reaxys" xref: Wikipedia:Iron(II)_sulfate is_a: CHEBI:24873 ! iron molecular entity is_a: CHEBI:51336 ! metal sulfate relationship: has_part CHEBI:29033 ! iron(2+) relationship: has_role CHEBI:63247 ! reducing agent [Term] id: CHEBI:7596 name: nitroprusside namespace: chebi_ontology subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "215.93834" RELATED MASS [ChEBI] synonym: "215.948" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "[Fe(CN)5(NO)](2-)" RELATED [IUPAC] synonym: "ASPOIVQEUUCDQT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C5FeN6O" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1" RELATED InChI [ChEBI] synonym: "Nitroferricyanide" RELATED [ChemIDplus] synonym: "Nitroprusside" EXACT [KEGG_COMPOUND] synonym: "O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N" RELATED SMILES [ChEBI] synonym: "pentacyanidonitrosylferrate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "pentacyanidonitrosylferrate(III)" EXACT IUPAC_NAME [IUPAC] xref: CAS:15078-28-1 "ChemIDplus" xref: DrugBank:DB00325 xref: KEGG:C07269 xref: MolBase:329 is_a: CHEBI:33892 ! iron coordination entity [Term] id: CHEBI:76042 name: aromatic amino-acid zwitterion namespace: chebi_ontology def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[NH3+]C([*])C([O-])=O" RELATED SMILES [ChEBI] synonym: "an aromatic amino-acid" RELATED [UniProt] synonym: "aromatic amino-acid zwitterions" RELATED [ChEBI] synonym: "C2H4NO2R" RELATED FORMULA [ChEBI] xref: MetaCyc:Aromatic-Amino-Acids "SUBMITTER" is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:33856 ! aromatic amino acid [Term] id: CHEBI:76206 name: xenobiotic metabolite namespace: chebi_ontology def: "Any metabolite produced by metabolism of a xenobiotic compound." [] subset: 3_STAR synonym: "xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:76243 name: ferrous ammonium sulfate (anhydrous) namespace: chebi_ontology def: "A compound of ammonium, iron and sulfate in which the ratio of ammonium to iron(2+) to sulfate ions is 2:1:2." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "283.907" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "284.04700" RELATED MASS [ChEBI] synonym: "[NH4+].[NH4+].[Fe++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI] synonym: "Ammonium ferrous sulfate" RELATED [ChemIDplus] synonym: "Ammonium iron sulfate" RELATED [ChemIDplus] synonym: "Ammonium iron sulfate (2:2:1)" RELATED [ChemIDplus] synonym: "ammonium iron(2+) sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Ammonium iron(II) sulfate" RELATED [ChemIDplus] synonym: "Diammonium ferrous sulfate" RELATED [ChemIDplus] synonym: "Diammonium iron sulfate" RELATED [ChemIDplus] synonym: "FeH8N2O8S2" RELATED FORMULA [ChEBI] synonym: "Ferrous ammonium sulfate" RELATED [ChemIDplus] synonym: "Ferrous ammonium sulphate" RELATED [ChemIDplus] synonym: "Ferrous diammonium disulfate" RELATED [ChemIDplus] synonym: "IMBKASBLAKCLEM-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2" RELATED InChI [ChEBI] synonym: "Mohr's salt" RELATED [ChemIDplus] xref: CAS:10045-89-3 "ChemIDplus" xref: PMID:22972036 "Europe PMC" xref: Reaxys:13163104 "Reaxys" xref: Wikipedia:Ammonium_iron(II)_sulfate is_a: CHEBI:24873 ! iron molecular entity is_a: CHEBI:47704 ! ammonium salt is_a: CHEBI:51336 ! metal sulfate relationship: has_part CHEBI:29033 ! iron(2+) [Term] id: CHEBI:76413 name: greenhouse gas namespace: chebi_ontology def: "A gas in an atmosphere that absorbs and emits radiation within the thermal infrared range, so contributing to the 'greenhouse effect'." [] subset: 3_STAR synonym: "greenhouse gases" RELATED [ChEBI] xref: Wikipedia:Greenhouse_gas is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:76414 name: propellant namespace: chebi_ontology def: "A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans." [] subset: 3_STAR synonym: "propellants" RELATED [ChEBI] xref: PMID:22519407 "Europe PMC" xref: PMID:24001847 "Europe PMC" is_a: CHEBI:33232 ! application [Term] id: CHEBI:76551 name: N-nitrosoureas namespace: chebi_ontology def: "A nitroso compound that is any urea in which one of the nitrogens is substituted by a nitroso group" [] subset: 3_STAR is_a: CHEBI:35800 ! nitroso compound is_a: CHEBI:47857 ! ureas [Term] id: CHEBI:76655 name: EC 2.1.* (C1-transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor inhibiting the action of transferase of a one-carbon-containing group (EC 2.1.*.*)." [] subset: 3_STAR synonym: "C1-transferase (EC 2.1.*) inhibitor" RELATED [ChEBI] synonym: "C1-transferase (EC 2.1.*) inhibitors" RELATED [ChEBI] synonym: "C1-transferase inhibitor" RELATED [ChEBI] synonym: "C1-transferase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.* (C1-transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.1.* inhibitors" RELATED [ChEBI] synonym: "one-carbon-containing group transferase inhibitor" RELATED [ChEBI] synonym: "one-carbon-containing group transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76663 name: EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor that inhibits the transfer of an alkyl (other than methyl) or aryl group (EC 2.5.1.*)." [] subset: 3_STAR synonym: "alkyl/aryl (non-methyl) transferase inhibitor" RELATED [ChEBI] synonym: "alkyl/aryl (non-methyl) transferase inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.* inhibitors" RELATED [ChEBI] synonym: "non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitor" RELATED [ChEBI] synonym: "non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitors" RELATED [ChEBI] synonym: "non-methyl alkyl/aryl transferase inhibitor" RELATED [ChEBI] synonym: "non-methyl alkyl/aryl transferase inhibitors" RELATED [ChEBI] synonym: "non-methyl-alkyl or aryl transferase inhibitor" RELATED [ChEBI] synonym: "non-methyl-alkyl or aryl transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76834 ! EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:76668 name: EC 2.7.* (P-containing group transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*)." [] subset: 3_STAR synonym: "EC 2.7.* (P-containing group transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.* (phosphorus-containing group transferase) inhibitor" RELATED [ChEBI] synonym: "EC 2.7.* (phosphorus-containing group transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.* inhibitor" RELATED [ChEBI] synonym: "EC 2.7.* inhibitors" RELATED [ChEBI] synonym: "phosphorus-containing group transferase (EC 2.7.*) inhibitor" RELATED [ChEBI] synonym: "phosphorus-containing group transferase (EC 2.7.*) inhibitors" RELATED [ChEBI] synonym: "phosphorus-containing group transferase inhibitor" RELATED [ChEBI] synonym: "phosphorus-containing group transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76694 name: EC 5.3.* (intramolecular oxidoreductase) inhibitor namespace: chebi_ontology def: "An isomerase inhibitor that interferes with the action of an intramolecular oxidoreductase (EC 5.3.*.*)." [] subset: 3_STAR synonym: "EC 5.3.* (intramolecular oxidoreductase) inhibitors" RELATED [ChEBI] synonym: "intramolecular oxidoreductase (EC 5.3.*) inhibitor" RELATED [ChEBI] synonym: "intramolecular oxidoreductase (EC 5.3.*) inhibitors" RELATED [ChEBI] synonym: "intramolecular oxidoreductase inhibitor" RELATED [ChEBI] synonym: "intramolecular oxidoreductase inhibitors" RELATED [ChEBI] is_a: CHEBI:75596 ! EC 5.* (isomerase) inhibitor [Term] id: CHEBI:76697 name: EC 5.99.* (other isomerases) inhibitor namespace: chebi_ontology def: "An isomerase inhibitor that interferes with the action of any member of the group of 'other isomerases' (EC 5.99.*.*)." [] subset: 3_STAR synonym: "EC 5.99.* (miscellaneous isomerases) inhibitor" RELATED [ChEBI] synonym: "EC 5.99.* (miscellaneous isomerases) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.* (other isomerase) inhibitor" RELATED [ChEBI] synonym: "EC 5.99.* (other isomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.* (other isomerases) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.* inhibitor" RELATED [ChEBI] synonym: "EC 5.99.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75596 ! EC 5.* (isomerase) inhibitor [Term] id: CHEBI:76706 name: EC 6.1.* (C-O bond-forming ligase) inhibitor namespace: chebi_ontology def: "A ligase inhibitor that interferes with the action of a C-O bond-forming ligase (EC 6.1.*.*)." [] subset: 3_STAR synonym: "C-O bond-forming ligase (EC 6.1.*) inhibitor" RELATED [ChEBI] synonym: "C-O bond-forming ligase (EC 6.1.*) inhibitors" RELATED [ChEBI] synonym: "C-O bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C-O bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "EC 6.1.* (C-O bond-forming ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.1.* inhibitor" RELATED [ChEBI] synonym: "EC 6.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor [Term] id: CHEBI:76710 name: EC 4.* (lyase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor which interferes with the action of a lyase (EC 4.*.*.*). Lyases are enzymes cleaving C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation." [] subset: 3_STAR synonym: "EC 4.* (lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.* inhibitor" RELATED [ChEBI] synonym: "EC 4.* inhibitors" RELATED [ChEBI] synonym: "EC 4.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 4.*.*.* inhibitors" RELATED [ChEBI] synonym: "lyase (EC 4.*) inhibitor" RELATED [ChEBI] synonym: "lyase (EC 4.*) inhibitorS" RELATED [ChEBI] synonym: "lyase inhibitor" RELATED [ChEBI] synonym: "lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Lyase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76711 name: EC 4.1.* (C-C lyase) inhibitor namespace: chebi_ontology def: "A lyase inhibitor which inhibits the action of a C-C lyase (EC 4.1.*.*)." [] subset: 3_STAR synonym: "C-C lyase (EC 4.1.*) inhibitor" RELATED [ChEBI] synonym: "C-C lyase (EC 4.1.*) inhibitors" RELATED [ChEBI] synonym: "C-C lyase inhibitor" RELATED [ChEBI] synonym: "C-C lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.1.* (C-C lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] id: CHEBI:76712 name: EC 4.2.* (C-O lyase) inhibitor namespace: chebi_ontology def: "A lyase inhibitor which inhibits the action of a C-O lyase (EC 4.2.*.*)." [] subset: 3_STAR synonym: "C-O lyase (EC 4.2.*) inhibitor" RELATED [ChEBI] synonym: "C-O lyase (EC 4.2.*) inhibitors" RELATED [ChEBI] synonym: "C-O lyase inhibitor" RELATED [ChEBI] synonym: "C-O lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.2.* (C-O lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.2.* inhibitor" RELATED [ChEBI] synonym: "EC 4.2.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] id: CHEBI:76713 name: EC 4.3.* (C-N lyase) inhibitor namespace: chebi_ontology def: "A lyase inhibitor which inhibits the action of a C-N lyase (EC 4.3.*.*)." [] subset: 3_STAR synonym: "C-N lyase (EC 4.3.*) inhibitor" RELATED [ChEBI] synonym: "C-N lyase (EC 4.3.*) inhibitors" RELATED [ChEBI] synonym: "C-N lyase inhibitor" RELATED [ChEBI] synonym: "C-N lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.* (C-N lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.* inhibitor" RELATED [ChEBI] synonym: "EC 4.3.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] id: CHEBI:76725 name: EC 1.* (oxidoreductase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*)." [] subset: 3_STAR synonym: "EC 1.* (oxidoreductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase (EC 1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase (EC 1.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase inhibitor" RELATED [ChEBI] synonym: "oxidoreductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Oxidoreductase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76729 name: EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-CH group of donors (EC 1.3.*.*)." [] subset: 3_STAR synonym: "EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.3.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-CH group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-CH group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-CH group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-CH group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76730 name: EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH2 group of donors (EC 1.4.*.*)." [] subset: 3_STAR synonym: "EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor" EXACT [ChEBI] synonym: "EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.* inhibitor" RELATED [ChEBI] synonym: "EC 1.4.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-NH2 group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-NH2 group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-NH2 group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-NH2 group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donor inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donor inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76736 name: EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on a heme group of donors (EC 1.9.*.*)." [] subset: 3_STAR synonym: "EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitor" RELATED [ChEBI] synonym: "EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.9.* (oxidoreductase acting on donor heme group) inhibitors" RELATED [ChEBI] synonym: "EC 1.9.* inhibitor" RELATED [ChEBI] synonym: "EC 1.9.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76737 name: EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on diphenols and related substances as donors (EC 1.10.*.*)." [] subset: 3_STAR synonym: "EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitor" RELATED [ChEBI] synonym: "EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.* inhibitor" RELATED [ChEBI] synonym: "EC 1.10.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of an oxidoreductase acting on diphenols and related substances as donor" RELATED [ChEBI] synonym: "inhibitor of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*)" RELATED [ChEBI] synonym: "inhibitor of an oxidoreductase acting on diphenols and related substances as donors" RELATED [ChEBI] synonym: "inhibitors of an oxidoreductase acting on diphenols and related substances as donor" RELATED [ChEBI] synonym: "inhibitors of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*)" RELATED [ChEBI] synonym: "inhibitors of an oxidoreductase acting on diphenols and related substances as donors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76738 name: EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on peroxide as donors (EC 1.11.*.*)." [] subset: 3_STAR synonym: "EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitor" RELATED [ChEBI] synonym: "EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.* inhibitor" RELATED [ChEBI] synonym: "EC 1.11.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76740 name: EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases), EC 1.13.*.*." [] subset: 3_STAR synonym: "EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitors" RELATED [ChEBI] synonym: "EC 1.13.* inhibitor" RELATED [ChEBI] synonym: "EC 1.13.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76741 name: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on hydrogen as donors (EC 1.14.*.*)." [] subset: 3_STAR synonym: "EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitor of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76742 name: EC 1.15.* (oxidoreductase acting on superoxide as acceptor) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on superoxide as acceptor (EC 1.15.*.*)." [] subset: 3_STAR synonym: "EC 1.15.* (oxidoreductase acting on superoxide as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.15.* inhibitor" RELATED [ChEBI] synonym: "EC 1.15.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on superoxide as acceptor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on superoxide as acceptor (EC 1.15.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on superoxide as acceptor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on superoxide as acceptor (EC 1.15.*)" RELATED [ChEBI] synonym: "oxidoreductase acting on superoxide as acceptor (EC 1.15.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on superoxide as acceptor (EC 1.15.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on superoxide as acceptor inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on superoxide as acceptor inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76744 name: EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on CH or CH2 (EC 1.17.*.*)." [] subset: 3_STAR synonym: "EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.* inhibitor" RELATED [ChEBI] synonym: "EC 1.17.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76759 name: EC 3.* (hydrolase) inhibitor namespace: chebi_ontology def: "Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*)." [] subset: 3_STAR synonym: "EC 3.* (hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.* inhibitor" RELATED [ChEBI] synonym: "EC 3.* inhibitors" RELATED [ChEBI] synonym: "EC 3.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 3.*.*.* inhibitors" RELATED [ChEBI] synonym: "hydrolase (EC 3.*) inhibitor" RELATED [ChEBI] synonym: "hydrolase (EC 3.*) inhibitors" RELATED [ChEBI] synonym: "hydrolase inhibitor" RELATED [ChEBI] synonym: "hydrolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Hydrolase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76760 name: EC 3.1.* (ester hydrolase) inhibitor namespace: chebi_ontology def: "A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*)." [] subset: 3_STAR synonym: "EC 3.1.* (ester hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.1.* inhibitors" RELATED [ChEBI] synonym: "ester hydrolase (EC 3.1.*) inhibitor" RELATED [ChEBI] synonym: "ester hydrolase (EC 3.1.*) inhibitors" RELATED [ChEBI] synonym: "ester hydrolase inhibitor" RELATED [ChEBI] synonym: "ester hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:76761 name: EC 3.2.* (glycosylase) inhibitor namespace: chebi_ontology def: "A hydrolase inhibitor that interferes with the action of any glycosylase (EC 3.2.*.*)." [] subset: 3_STAR synonym: "EC 3.2.* (glycosylase) inhibitors" RELATED [ChEBI] synonym: "EC 3.2.* inhibitor" RELATED [ChEBI] synonym: "EC 3.2.* inhibitors" RELATED [ChEBI] synonym: "glycosylase (EC 3.2.*) inhibitor" RELATED [ChEBI] synonym: "glycosylase (EC 3.2.*) inhibitors" RELATED [ChEBI] synonym: "glycosylase inhibitor" RELATED [ChEBI] synonym: "glycosylase inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:76764 name: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor namespace: chebi_ontology def: "Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*)." [] subset: 3_STAR synonym: "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:76773 name: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor namespace: chebi_ontology def: "An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a carboxylic ester hydrolase (EC 3.1.1.*)." [] subset: 3_STAR synonym: "carboxylic ester hydrolase (EC 3.1.1.*) inhibitor" RELATED [ChEBI] synonym: "carboxylic ester hydrolase (EC 3.1.1.*) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.* (carboxylic ester hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] id: CHEBI:76775 name: EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor namespace: chebi_ontology def: "An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of any phosphoric monoester hydrolase (EC 3.1.3.*)." [] subset: 3_STAR synonym: "EC 3.1.3.* (phosphoric monoester hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.* inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of phosphoric monoester hydrolase" RELATED [ChEBI] synonym: "inhibitor of phosphoric monoester hydrolase (EC 3.1.3.*)" RELATED [ChEBI] synonym: "inhibitors of phosphoric monoester hydrolase" RELATED [ChEBI] synonym: "inhibitors of phosphoric monoester hydrolase (EC 3.1.3.*)" RELATED [ChEBI] synonym: "phosphoric monoester hydrolase (EC 3.1.3.*) inhibitor" RELATED [ChEBI] synonym: "phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors" RELATED [ChEBI] synonym: "phosphoric monoester hydrolase inhibitor" RELATED [ChEBI] synonym: "phosphoric monoester hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] id: CHEBI:76787 name: EC 3.4.11.* (aminopeptidase) inhibitor namespace: chebi_ontology def: "An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes wtih the action of any aminopeptidase (EC 3.4.11.*)." [] subset: 3_STAR synonym: "aminopeptidase (EC 3.4.11.*) inhibitor" RELATED [ChEBI] synonym: "aminopeptidase (EC 3.4.11.*) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.* (aminopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.11.* inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:76788 name: EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor namespace: chebi_ontology def: "An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of any dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*)." [] subset: 3_STAR synonym: "dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*) inhibitors" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidase inhibitor" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidase inhibitors" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidases (EC 3.4.14.*) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidases (EC 3.4.14.*) inhibitors" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidases inhibitor" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidases inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptidases and tripeptidyl-peptidases (EC 3.4.14.*) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptidases and tripeptidyl-peptidases (EC 3.4.14.*) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.14.* inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.*(dipeptidyl-peptidases and tripeptidyl-peptidases) inhibitor" RELATED [ChEBI] synonym: "EC 3.4.14.*(dipeptidyl-peptidases and tripeptidyl-peptidases) inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:76797 name: EC 2.5.1.18 (glutathione transferase) inhibitor namespace: chebi_ontology def: "An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of a glutathione transferase (EC 2.5.1.18)." [] subset: 3_STAR synonym: "EC 2.5.1.18 (glutathione transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.18 inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.18 inhibitors" RELATED [ChEBI] synonym: "glutathione S-alkyl transferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-alkyl transferase inhibitors" RELATED [ChEBI] synonym: "glutathione S-alkyltransferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-alkyltransferase inhibitors" RELATED [ChEBI] synonym: "glutathione S-aralkyltransferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-aralkyltransferase inhibitors" RELATED [ChEBI] synonym: "glutathione S-aryltransferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-aryltransferase inhibitors" RELATED [ChEBI] synonym: "glutathione S-transferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-transferase inhibitors" RELATED [ChEBI] synonym: "glutathione transferase (EC 2.5.1.18) inhibitor" RELATED [ChEBI] synonym: "glutathione transferase (EC 2.5.1.18) inhibitors" RELATED [ChEBI] synonym: "glutathione transferase inhibitor" RELATED [ChEBI] synonym: "glutathione transferase inhibitors" RELATED [ChEBI] synonym: "RX:glutathione R-transferase inhibitor" RELATED [ChEBI] synonym: "RX:glutathione R-transferase inhibitors" RELATED [ChEBI] synonym: "S-(hydroxyalkyl)glutathione lyase inhibitor" RELATED [ChEBI] synonym: "S-(hydroxyalkyl)glutathione lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Glutathione_S-transferase is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:76807 name: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor namespace: chebi_ontology def: "An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*)." [] subset: 3_STAR synonym: "EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.* inhibitors" RELATED [ChEBI] synonym: "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor" RELATED [ChEBI] synonym: "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor [Term] id: CHEBI:76815 name: EC 2.7.7.* (nucleotidyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*)." [] subset: 3_STAR synonym: "EC 2.7.7.* (nucleotidyltransferase) inhibitors" RELATED [ChEBI] synonym: "inhibitor of nucleotidyltransferases" RELATED [ChEBI] synonym: "inhibitor of nucleotidyltransferases (EC 2.7.7.*)" RELATED [ChEBI] synonym: "inhibitors of nucleotidyltransferases" RELATED [ChEBI] synonym: "inhibitors of nucleotidyltransferases (EC 2.7.7.*)" RELATED [ChEBI] synonym: "nucleotidyltransferase (EC 2.7.7.*) inhibitor" RELATED [ChEBI] synonym: "nucleotidyltransferase (EC 2.7.7.*) inhibitors" RELATED [ChEBI] synonym: "nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "nucleotidyltransferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:76824 name: EC 6.4.1.* (carboxylase) inhibitor namespace: chebi_ontology def: "An EC 6.4.* (C-C bond-forming ligase) inhibitor that interferes with the action of a carboxylating enzyme (EC 6.4.1.*)." [] subset: 3_STAR synonym: "EC 6.4.1.* (C-C bond forming ligase) inhibitor" RELATED [ChEBI] synonym: "EC 6.4.1.* (C-C bond forming ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.* (C-C bond-forming ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.* (carboxylase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.* inhibitor" RELATED [ChEBI] synonym: "EC 6.4.1.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of ligases forming C-C bonds" RELATED [ChEBI] synonym: "inhibitor of ligases forming C-C bonds (EC 6.4.1.*)" RELATED [ChEBI] synonym: "inhibitors of ligases forming C-C bonds" RELATED [ChEBI] synonym: "inhibitors of ligases forming C-C bonds (EC 6.4.1.*)" RELATED [ChEBI] is_a: CHEBI:75604 ! EC 6.4.* (C-C bond-forming ligase) inhibitor [Term] id: CHEBI:76830 name: EC 5.99.1.* (miscellaneous isomerase) inhibitor namespace: chebi_ontology def: "An EC 5.99.* (other isomerases) inhibitor that interferes with the activity of any enzyme in the EC 5.99.1.* class." [] subset: 3_STAR synonym: "EC 5.99.1.* (miscellaneous isomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.* inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76697 ! EC 5.99.* (other isomerases) inhibitor [Term] id: CHEBI:76832 name: EC 4.3.1.* (ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.* (C-N lyase) inhibitor that interferes with the action of any ammonia-lyase (EC 4.3.1.*)." [] subset: 3_STAR synonym: "ammonia-lyase (EC 4.3.1.*) inhibitor" RELATED [ChEBI] synonym: "ammonia-lyase (EC 4.3.1.*) inhibitors" RELATED [ChEBI] synonym: "ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyases) inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyases) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76713 ! EC 4.3.* (C-N lyase) inhibitor [Term] id: CHEBI:76834 name: EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor namespace: chebi_ontology def: "An EC 2.5.* (transferase) inhibitor that inhibits the action of any transferase that transfers an alkyl (other than methyl) or aryl group (EC 2.5.*)." [] subset: 3_STAR synonym: "EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.* inhibitor" RELATED [ChEBI] synonym: "EC 2.5.* inhibitors" RELATED [ChEBI] synonym: "non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitor" RELATED [ChEBI] synonym: "non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76837 name: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor namespace: chebi_ontology def: "An EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor that inhibits the action of any oxidoreductase incorporating 2 atoms of oxygen (EC 1.13.11.*)." [] subset: 3_STAR synonym: "EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.* inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76740 ! EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor [Term] id: CHEBI:76840 name: EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor namespace: chebi_ontology def: "An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any enzyme in the EC 1.14.99.* (miscellaneous) category." [] subset: 3_STAR synonym: "EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.99.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.99.* inhibitors" RELATED [ChEBI] synonym: "miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitor" RELATED [ChEBI] synonym: "miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:76841 name: EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor namespace: chebi_ontology def: "An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme incorporating one atom of oxygen and using NADH or NADPH as one donor (EC 1.14.13.*)." [] subset: 3_STAR synonym: "EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.13.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.13.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor (EC 1.14.13.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor (EC 1.14.13.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:76848 name: EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that interferes with the activity of any such enzyme that uses a disulfide as acceptor (EC 1.17.4.*)." [] subset: 3_STAR synonym: "EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.4.* inhibitor" RELATED [ChEBI] synonym: "EC 1.17.4.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76744 ! EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor [Term] id: CHEBI:76857 name: EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.3.1.*)." [] subset: 3_STAR synonym: "EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76729 ! EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor [Term] id: CHEBI:76861 name: EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.4.3.*)." [] subset: 3_STAR synonym: "EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.4.3.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76730 ! EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor [Term] id: CHEBI:76870 name: EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.9.3.*)." [] subset: 3_STAR synonym: "EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.9.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.9.3.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76736 ! EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor [Term] id: CHEBI:76871 name: EC 2.1.1.* (methyltransferases) inhibitor namespace: chebi_ontology def: "An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any methyltransferase (EC 2.1.1.*)." [] subset: 3_STAR synonym: "EC 2.1.1.* (methyltransferase) inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.* (methyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.* (methyltransferases) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.* inhibitors" RELATED [ChEBI] synonym: "methyltransferase (EC 2.1.1.*) inhibitor" RELATED [ChEBI] synonym: "methyltransferase (EC 2.1.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor [Term] id: CHEBI:76874 name: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor namespace: chebi_ontology def: "An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any hydroxymethyl-, formyl- and related transferase (EC 2.1.2.*)." [] subset: 3_STAR synonym: "EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.* inhibitor" RELATED [ChEBI] synonym: "EC 2.1.2.* inhibitors" RELATED [ChEBI] synonym: "hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor" RELATED [ChEBI] synonym: "hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor [Term] id: CHEBI:76881 name: EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any phosphotransferase with an alcohol group as acceptor (EC 2.7.1.*)." [] subset: 3_STAR synonym: "EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.7.1.* inhibitors" RELATED [ChEBI] synonym: "phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitor" RELATED [ChEBI] synonym: "phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:76891 name: EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor namespace: chebi_ontology def: "An EC 3.4.11.* (aminopeptidase) inhibitor that interferes with the action of cytosol alanyl aminopeptidase (EC 3.4.11.14)." [] subset: 3_STAR synonym: "alanine aminopeptidase inhibitor" RELATED [ChEBI] synonym: "alanine aminopeptidase inhibitors" RELATED [ChEBI] synonym: "aminopolypeptidase inhibitor" RELATED [ChEBI] synonym: "aminopolypeptidase inhibitors" RELATED [ChEBI] synonym: "arylamidase inhibitor" RELATED [ChEBI] synonym: "arylamidase inhibitors" RELATED [ChEBI] synonym: "cytosol alanyl aminopeptidase (EC 3.4.11.14) inhibitor" RELATED [ChEBI] synonym: "cytosol alanyl aminopeptidase (EC 3.4.11.14) inhibitors" RELATED [ChEBI] synonym: "cytosol alanyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "cytosol alanyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "cytosol aminopeptidase III inhibitor" RELATED [ChEBI] synonym: "cytosol aminopeptidase III inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.14 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.11.14 inhibitors" RELATED [ChEBI] synonym: "human liver aminopeptidase inhibitor" RELATED [ChEBI] synonym: "human liver aminopeptidase inhibitors" RELATED [ChEBI] synonym: "puromycin-sensitive aminopeptidase inhibitor" RELATED [ChEBI] synonym: "puromycin-sensitive aminopeptidase inhibitors" RELATED [ChEBI] synonym: "soluble alanyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "soluble alanyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "thiol-activated aminopeptidase inhibitor" RELATED [ChEBI] synonym: "thiol-activated aminopeptidase inhibitors" RELATED [ChEBI] xref: Wikipedia:Cytosol_alanyl_aminopeptidase is_a: CHEBI:76787 ! EC 3.4.11.* (aminopeptidase) inhibitor [Term] id: CHEBI:76893 name: EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor namespace: chebi_ontology def: "An EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor that interferes with the action of dipeptidyl-peptidase II (EC 3.4.14.2)." [] subset: 3_STAR synonym: "carboxytripeptidase inhibitor" RELATED [ChEBI] synonym: "carboxytripeptidase inhibitors" RELATED [ChEBI] synonym: "DAP II inhibitor" RELATED [ChEBI] synonym: "DAP II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl aminopeptidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl aminopeptidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl arylamidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl arylamidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl peptidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl peptidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl(amino)peptidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl(amino)peptidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptidase II (EC 3.4.14.2) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptidase II (EC 3.4.14.2) inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidylarylamidase inhibitor" RELATED [ChEBI] synonym: "dipeptidylarylamidase inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.2 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.14.2 inhibitors" RELATED [ChEBI] is_a: CHEBI:76788 ! EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor [Term] id: CHEBI:76906 name: EC 4.1.1.* (carboxy-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.1.* (C-C lyase) inhibitor that interferes with the action of any carboxy-lyase (EC 4.1.1.*)." [] subset: 3_STAR synonym: "carboxy-lyase (EC 4.1.1.*) inhibitor" RELATED [ChEBI] synonym: "carboxy-lyase (EC 4.1.1.*) inhibitors" RELATED [ChEBI] synonym: "carboxy-lyases (EC 4.1.1.*) inhibitor" RELATED [ChEBI] synonym: "carboxy-lyases (EC 4.1.1.*) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.* (carboxy-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.* (carboxy-lyases) inhibitor" RELATED [ChEBI] synonym: "EC 4.1.1.* (carboxy-lyases) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.1.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76711 ! EC 4.1.* (C-C lyase) inhibitor [Term] id: CHEBI:76907 name: EC 4.2.1.* (hydro-lyases) inhibitor namespace: chebi_ontology def: "An EC 4.2.* (C-O lyase) inhibitor that interferes with the action of any hydro-lyase (EC 4.2.1.*)." [] subset: 3_STAR synonym: "EC 4.2.1.* (hydro-lyase) inhibitor" RELATED [ChEBI] synonym: "EC 4.2.1.* (hydro-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.* (hydro-lyases) inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.2.1.* inhibitors" RELATED [ChEBI] synonym: "hydro-lyase (EC 4.2.1.*) inhibitor" RELATED [ChEBI] synonym: "hydro-lyase (EC 4.2.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76712 ! EC 4.2.* (C-O lyase) inhibitor [Term] id: CHEBI:76924 name: plant metabolite namespace: chebi_ontology alt_id: CHEBI:75766 alt_id: CHEBI:76925 def: "Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms." [] subset: 3_STAR synonym: "plant metabolites" RELATED [ChEBI] synonym: "plant secondary metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:76932 name: pathway inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that interferes with one or more steps in a metabolic pathway." [] subset: 3_STAR synonym: "metabolic pathway inhibitor" RELATED [ChEBI] synonym: "metabolic pathway inhibitors" RELATED [ChEBI] synonym: "pathway inhibitors" RELATED [ChEBI] is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76946 name: fungal metabolite namespace: chebi_ontology alt_id: CHEBI:75765 alt_id: CHEBI:76947 def: "Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds." [] subset: 3_STAR synonym: "fungal metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:76956 name: Aspergillus metabolite namespace: chebi_ontology alt_id: CHEBI:75864 alt_id: CHEBI:76958 def: "Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus." [] subset: 3_STAR synonym: "Aspergillus metabolites" RELATED [ChEBI] is_a: CHEBI:76946 ! fungal metabolite [Term] id: CHEBI:76964 name: Penicillium metabolite namespace: chebi_ontology alt_id: CHEBI:76205 alt_id: CHEBI:76963 def: "Any fungal metabolite produced during a metabolic reaction in Penicillium." [] subset: 3_STAR synonym: "Penicillium metabolites" RELATED [ChEBI] is_a: CHEBI:76946 ! fungal metabolite [Term] id: CHEBI:76967 name: human xenobiotic metabolite namespace: chebi_ontology def: "Any human metabolite produced by metabolism of a xenobiotic compound in humans." [] subset: 3_STAR synonym: "human xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:76206 ! xenobiotic metabolite is_a: CHEBI:77746 ! human metabolite [Term] id: CHEBI:76969 name: bacterial metabolite namespace: chebi_ontology alt_id: CHEBI:75760 alt_id: CHEBI:76970 def: "Any prokaryotic metabolite produced during a metabolic reaction in bacteria." [] subset: 3_STAR is_a: CHEBI:75787 ! prokaryotic metabolite [Term] id: CHEBI:76971 name: Escherichia coli metabolite namespace: chebi_ontology def: "Any bacterial metabolite produced during a metabolic reaction in Escherichia coli." [] subset: 3_STAR synonym: "E.coli metabolite" RELATED [ChEBI] synonym: "E.coli metabolites" RELATED [ChEBI] synonym: "Escherichia coli metabolites" RELATED [ChEBI] is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:76976 name: bacterial xenobiotic metabolite namespace: chebi_ontology def: "Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria." [] subset: 3_STAR synonym: "bacterial xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:76206 ! xenobiotic metabolite is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:76989 name: phytoestrogen namespace: chebi_ontology def: "Any compound produced by a plant that happens to have estrogenic activity." [] subset: 3_STAR synonym: "phytoestrogens" RELATED [ChEBI] xref: Wikipedia:Phytoestrogen is_a: CHEBI:50114 ! estrogen [Term] id: CHEBI:77019 name: EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor namespace: chebi_ontology def: "An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme in the EC 1.10.99.* category." [] subset: 3_STAR synonym: "EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.99.* inhibitor" RELATED [ChEBI] synonym: "EC 1.10.99.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76737 ! EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor [Term] id: CHEBI:77020 name: EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor namespace: chebi_ontology def: "An EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor that interferes with the action of ribosyldihydronicotinamide dehydrogenase (quinone), EC 1.10.99.2." [] subset: 3_STAR synonym: "1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitor" RELATED [ChEBI] synonym: "1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitors" RELATED [ChEBI] synonym: "EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitor" RELATED [ChEBI] synonym: "EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitors" RELATED [ChEBI] synonym: "EC 1.10.99.2 inhibitor" RELATED [ChEBI] synonym: "EC 1.10.99.2 inhibitors" RELATED [ChEBI] synonym: "N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitor" RELATED [ChEBI] synonym: "N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitors" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase-2 inhibitor" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase-2 inhibitors" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase2 inhibitor" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase2 inhibitors" RELATED [ChEBI] synonym: "NQO2 inhibitor" RELATED [ChEBI] synonym: "NQO2 inhibitors" RELATED [ChEBI] synonym: "NRH:quinone oxidoreductase 2 inhibitor" RELATED [ChEBI] synonym: "NRH:quinone oxidoreductase 2 inhibitors" RELATED [ChEBI] synonym: "QR2 inhibitor" RELATED [ChEBI] synonym: "QR2 inhibitors" RELATED [ChEBI] synonym: "quinone reductase 2 inhibitor" RELATED [ChEBI] synonym: "quinone reductase 2 inhibitors" RELATED [ChEBI] synonym: "ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitor" RELATED [ChEBI] synonym: "ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitors" RELATED [ChEBI] xref: Wikipedia:Ribosyldihydronicotinamide_dehydrogenase_(quinone) is_a: CHEBI:77019 ! EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor [Term] id: CHEBI:77115 name: EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor namespace: chebi_ontology def: "An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of (S)-tetrahydroprotoberberine N-methyltransferase (EC 2.1.1.122)." [] subset: 3_STAR synonym: "(S)-tetrahydroprotoberberine N-methyltransferase (EC 2.1.1.122) inhibitor" RELATED [ChEBI] synonym: "(S)-tetrahydroprotoberberine N-methyltransferase (EC 2.1.1.122) inhibitors" RELATED [ChEBI] synonym: "(S)-tetrahydroprotoberberine N-methyltransferase inhibitor" RELATED [ChEBI] synonym: "(S)-tetrahydroprotoberberine N-methyltransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.122 ((S)-tetrahydroprotoberberine N-methyltransferase) inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.122 ((S)-tetrahydroprotoberberine N-methyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.122 inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.122 inhibitors" RELATED [ChEBI] synonym: "S-adenosyl-L-methionine:(S)-7,8,13,14-tetrahydroprotoberberine cis-N-methyltransferase inhibitor" RELATED [ChEBI] synonym: "S-adenosyl-L-methionine:(S)-7,8,13,14-tetrahydroprotoberberine cis-N-methyltransferase inhibitors" RELATED [ChEBI] synonym: "tetrahydroprotoberberine cis-N-methyltransferase inhibitor" RELATED [ChEBI] synonym: "tetrahydroprotoberberine cis-N-methyltransferase inhibitors" RELATED [ChEBI] xref: Wikipedia:(S)-tetrahydroprotoberberine_N-methyltransferase is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor [Term] id: CHEBI:77182 name: food colouring namespace: chebi_ontology def: "A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199)." [] subset: 3_STAR synonym: "food coloring" RELATED [ChEBI] synonym: "food colorings" RELATED [ChEBI] synonym: "food colourings" RELATED [ChEBI] xref: Wikipedia:Food_coloring is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:77315 name: spectinomycin(2+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the secondary amino groups of spectinomycin." [] subset: 3_STAR synonym: "(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-N,N',2-trimethyl-4-oxodecahydro-2H-pyrano[2,3-b][1,4]benzodioxine-6,8-diaminium" EXACT IUPAC_NAME [IUPAC] synonym: "+2" RELATED CHARGE [ChEBI] synonym: "334.174" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "334.36430" RELATED MASS [ChEBI] synonym: "C14H26N2O7" RELATED FORMULA [ChEBI] synonym: "C[NH2+][C@@H]1[C@H](O)[C@H]([NH2+]C)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/p+2/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1" RELATED InChI [ChEBI] synonym: "spectinomycin dication" RELATED [ChEBI] synonym: "UNFWWIHTNXNPBV-WXKVUWSESA-P" RELATED InChIKey [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion relationship: is_conjugate_acid_of CHEBI:9215 ! spectinomycin [Term] id: CHEBI:77318 name: pregnane X receptor agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates a pregnane X receptor." [] subset: 3_STAR synonym: "pregnane X receptor agonists" RELATED [ChEBI] synonym: "PXR agonist" RELATED [ChEBI] synonym: "PXR agonists" RELATED [ChEBI] xref: Wikipedia:Pregnane_X_receptor is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:77450 name: dicarboxylic acid monoamide(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any dicarboxylic acid monoamide; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "88.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "a monoamide of a dicarboxylate" RELATED [UniProt] synonym: "C2H2NO3R" RELATED FORMULA [ChEBI] synonym: "NC(=O)[*]C([O-])=O" RELATED SMILES [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35735 ! dicarboxylic acid monoamide [Term] id: CHEBI:77521 name: thermal degradation product namespace: chebi_ontology def: "Any product obtained as a result of thermally induced non-enzymatic degradation." [] subset: 3_STAR synonym: "thermal artefact" RELATED [ChEBI] synonym: "thermal artefacts" RELATED [ChEBI] synonym: "thermal degradation products" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:77523 name: Maillard reaction product namespace: chebi_ontology def: "Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products)." [] subset: 3_STAR synonym: "Maillard product" RELATED [ChEBI] synonym: "Maillard products" RELATED [ChEBI] synonym: "maillard reaction products" RELATED [ChEBI] xref: PMID:23588491 "Europe PMC" xref: PMID:23612540 "Europe PMC" xref: PMID:24246231 "Europe PMC" xref: Wikipedia:Maillard_reaction is_a: CHEBI:77521 ! thermal degradation product [Term] id: CHEBI:77703 name: EC 4.3.1.3 (histidine ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3)." [] subset: 3_STAR synonym: "EC 4.3.1.3 (histidine ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.3 inhibitors" RELATED [ChEBI] synonym: "histidase inhibitor" RELATED [ChEBI] synonym: "histidase inhibitors" RELATED [ChEBI] synonym: "histidinase inhibitor" RELATED [ChEBI] synonym: "histidinase inhibitors" RELATED [ChEBI] synonym: "histidine alpha-deaminase inhibitor" RELATED [ChEBI] synonym: "histidine alpha-deaminase inhibitors" RELATED [ChEBI] synonym: "histidine ammonia-lyase (EC 4.3.1.3) inhibitor" RELATED [ChEBI] synonym: "histidine ammonia-lyase (EC 4.3.1.3) inhibitors" RELATED [ChEBI] synonym: "histidine ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "histidine ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase (urocanate-forming) inhibitor" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase (urocanate-forming) inhibitors" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Histidine_ammonia-lyase is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] id: CHEBI:77746 name: human metabolite namespace: chebi_ontology alt_id: CHEBI:75770 alt_id: CHEBI:77123 def: "Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens)." [] subset: 3_STAR synonym: "H. sapiens metabolite" RELATED [ChEBI] synonym: "H. sapiens metabolites" RELATED [ChEBI] synonym: "Homo sapiens metabolite" RELATED [ChEBI] synonym: "Homo sapiens metabolites" RELATED [ChEBI] is_a: CHEBI:75768 ! mammalian metabolite [Term] id: CHEBI:77881 name: EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of diaminopropionate ammonia-lyase (EC 4.3.1.15)." [] subset: 3_STAR synonym: "2,3-diaminopropanoate ammonia-lyase (adding H2O; pyruvate-forming) inhibitor" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase (adding H2O; pyruvate-forming) inhibitors" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase (adding water; pyruvate-forming) inhibitor" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase (adding water; pyruvate-forming) inhibitors" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "2,3-diaminopropionate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "2,3-diaminopropionate ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "alpha,beta-diaminopropionate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "alpha,beta-diaminopropionate ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "diaminopropionatase inhibitor" RELATED [ChEBI] synonym: "diaminopropionatase inhibitors" RELATED [ChEBI] synonym: "diaminopropionate ammonia-lyase (EC 4.3.1.15) inhibitor" RELATED [ChEBI] synonym: "diaminopropionate ammonia-lyase (EC 4.3.1.15) inhibitors" RELATED [ChEBI] synonym: "diaminopropionate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "diaminopropionate ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.15 inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.15 inhibitors" RELATED [ChEBI] xref: Wikipedia:Diaminopropionate_ammonia-lyase is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] id: CHEBI:77922 name: isopentenol namespace: chebi_ontology def: "An enol that is 3-methylbut-1-ene in which one of the terminal hydrogens is replaced by a hydroxy group." [] subset: 3_STAR synonym: "(1E)-3-methylbut-1-en-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-3-methylbut-1-en-1-ol" RELATED [SUBMITTER] synonym: "0" RELATED CHARGE [ChEBI] synonym: "86.073" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "86.13230" RELATED MASS [ChEBI] synonym: "C5H10O" RELATED FORMULA [ChEBI] synonym: "CC(C)\\C=C\\O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C5H10O/c1-5(2)3-4-6/h3-6H,1-2H3/b4-3+" RELATED InChI [ChEBI] synonym: "QVDTXNVYSHVCGW-ONEGZZNKSA-N" RELATED InChIKey [ChEBI] xref: colombos:ISOPENTENOL xref: Reaxys:2424541 "Reaxys" is_a: CHEBI:33823 ! enol relationship: has_parent_hydride CHEBI:30362 ! isopentane [Term] id: CHEBI:77932 name: tetracycline zwitterion namespace: chebi_ontology def: "A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of tetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] subset: 3_STAR synonym: "(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "444.153" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "444.43460" RELATED MASS [ChEBI] synonym: "C22H24N2O8" RELATED FORMULA [ChEBI] synonym: "C[NH+](C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-])C(=O)c1c(O)cccc1[C@@]3(C)O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1" RELATED InChI [ChEBI] synonym: "OFVLGDICTFRJMM-WESIUVDSSA-N" RELATED InChIKey [ChEBI] synonym: "tetracycline" RELATED [UniProt] is_a: CHEBI:27369 ! zwitterion relationship: has_role CHEBI:35820 ! antiprotozoal drug relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: is_conjugate_acid_of CHEBI:71392 ! tetracycline(1-) relationship: is_conjugate_base_of CHEBI:27902 ! tetracycline [Term] id: CHEBI:77941 name: EC 3.5.1.4 (amidase) inhibitor namespace: chebi_ontology def: "An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4)." [] subset: 3_STAR synonym: "acylamidase inhibitor" RELATED [ChEBI] synonym: "acylamidase inhibitors" RELATED [ChEBI] synonym: "acylamide amidohydrolase inhibitor" RELATED [ChEBI] synonym: "acylamide amidohydrolase inhibitors" RELATED [ChEBI] synonym: "amidase (EC 3.5.1.4) inhibitor" RELATED [ChEBI] synonym: "amidase (EC 3.5.1.4) inhibitors" RELATED [ChEBI] synonym: "amidase inhibitor" RELATED [ChEBI] synonym: "amidase inhibitors" RELATED [ChEBI] synonym: "amidohydrolase inhibitor" RELATED [ChEBI] synonym: "amidohydrolase inhibitors" RELATED [ChEBI] synonym: "deaminase inhibitor" RELATED [ChEBI] synonym: "deaminase inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.4 (amidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.4 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.4 inhibitors" RELATED [ChEBI] synonym: "fatty acylamidase inhibitor" RELATED [ChEBI] synonym: "fatty acylamidase inhibitors" RELATED [ChEBI] synonym: "N-acetylaminohydrolase inhibitor" RELATED [ChEBI] synonym: "N-acetylaminohydrolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Amidase is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] id: CHEBI:77962 name: food antioxidant namespace: chebi_ontology def: "An antioxidant that used as a food additives to help guard against food deterioration." [] subset: 3_STAR synonym: "food antioxidants" RELATED [ChEBI] is_a: CHEBI:22586 ! antioxidant is_a: CHEBI:65255 ! food preservative [Term] id: CHEBI:77974 name: food packaging gas namespace: chebi_ontology def: "A food additive that is a (generally inert) gas which is used to envelop foodstuffs during packing and so protect them from unwanted chemical reactions such as food spoilage or oxidation during subsequent transport and storage. The term includes propellant gases, used to expel foods from a container." [] subset: 3_STAR synonym: "food packaging gases" RELATED [ChEBI] xref: Wikipedia:Packaging_gas is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:78017 name: food propellant namespace: chebi_ontology def: "A propellant that is used to expel foods from an aerosol container." [] subset: 3_STAR synonym: "food propellants" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive is_a: CHEBI:76414 ! propellant [Term] id: CHEBI:78113 name: fatty acid anion 3:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "73.029" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "73.07060" RELATED MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "C3H5O2" RELATED FORMULA [ChEBI] synonym: "fatty acid 3:0" RELATED [UniProt] is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58953 ! saturated fatty acid anion [Term] id: CHEBI:78115 name: fatty acid anion 4:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "87.045" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "87.09718" RELATED MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "C4H7O2" RELATED FORMULA [ChEBI] synonym: "fatty acid 4:0" RELATED [UniProt] is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58953 ! saturated fatty acid anion [Term] id: CHEBI:78116 name: fatty acid anion 6:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "115.076" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "115.15034" RELATED MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "C6H11O2" RELATED FORMULA [ChEBI] synonym: "fatty acid 6:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion is_a: CHEBI:59558 ! medium-chain fatty acid anion [Term] id: CHEBI:78117 name: fatty acid anion 8:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 8 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "143.107" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "143.20350" RELATED MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "C8H15O2" RELATED FORMULA [ChEBI] synonym: "fatty acid 8:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion [Term] id: CHEBI:78118 name: fatty acid anion 10:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 10 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "171.139" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "171.25670" RELATED MASS [ChEBI] synonym: "[O-]C([*])=O" RELATED SMILES [ChEBI] synonym: "C10H19O2" RELATED FORMULA [ChEBI] synonym: "fatty acid 10:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion [Term] id: CHEBI:78295 name: food component namespace: chebi_ontology def: "Any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants." [] subset: 3_STAR synonym: "dietary component" RELATED [ChEBI] synonym: "dietary components" RELATED [ChEBI] synonym: "food components" RELATED [ChEBI] is_a: CHEBI:52211 ! physiological role [Term] id: CHEBI:78298 name: environmental contaminant namespace: chebi_ontology def: "Any minor or unwanted substance introduced into the environment that can have undesired effects." [] subset: 3_STAR synonym: "environmental contaminants" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:78320 name: 2-hydroxypropanoic acid namespace: chebi_ontology def: "A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2-Hydroxypropanoic acid" EXACT [KEGG_COMPOUND] synonym: "2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "90.032" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "90.07790" RELATED MASS [ChEBI] synonym: "C3H6O3" RELATED FORMULA [ChEBI] synonym: "CC(O)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)" RELATED InChI [ChEBI] synonym: "JVTAAEKCZFNVCJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "Lactic acid" RELATED [KEGG_COMPOUND] xref: CAS:50-21-5 "KEGG COMPOUND" xref: KEGG:C01432 xref: KEGG:D00111 is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:24996 ! lactate [Term] id: CHEBI:78366 name: EC 2.7.1.1 (hexokinase) inhibitor namespace: chebi_ontology def: "An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of hexokinase, EC 2.7.1.1, an enzyme that phosphorylates hexoses forming hexose phosphate." [] subset: 3_STAR synonym: "ATP-dependent hexokinase inhibitor" RELATED [ChEBI] synonym: "ATP-dependent hexokinase inhibitors" RELATED [ChEBI] synonym: "ATP:D-hexose 6-phosphotransferase inhibitor" RELATED [ChEBI] synonym: "ATP:D-hexose 6-phosphotransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.1 (hexokinase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.1 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.1.1 inhibitors" RELATED [ChEBI] synonym: "glucose ATP phosphotransferase inhibitor" RELATED [ChEBI] synonym: "glucose ATP phosphotransferase inhibitors" RELATED [ChEBI] synonym: "hexokinase (phosphorylating) inhibitor" RELATED [ChEBI] synonym: "hexokinase (phosphorylating) inhibitors" RELATED [ChEBI] synonym: "hexokinase D inhibitor" RELATED [ChEBI] synonym: "hexokinase D inhibitors" RELATED [ChEBI] synonym: "hexokinase inhibitor" RELATED [ChEBI] synonym: "hexokinase inhibitors" RELATED [ChEBI] synonym: "hexokinase type I inhibitor" RELATED [ChEBI] synonym: "hexokinase type I inhibitors" RELATED [ChEBI] synonym: "hexokinase type II inhibitor" RELATED [ChEBI] synonym: "hexokinase type II inhibitors" RELATED [ChEBI] synonym: "hexokinase type III inhibitor" RELATED [ChEBI] synonym: "hexokinase type III inhibitors" RELATED [ChEBI] synonym: "hexokinase type IV glucokinase inhibitor" RELATED [ChEBI] synonym: "hexokinase type IV glucokinase inhibitors" RELATED [ChEBI] synonym: "hexokinase type IV inhibitor" RELATED [ChEBI] synonym: "hexokinase type IV inhibitors" RELATED [ChEBI] xref: Wikipedia:Hexokinase is_a: CHEBI:50916 ! lipid kinase inhibitor is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor [Term] id: CHEBI:78377 name: EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor namespace: chebi_ontology def: "An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of acyl-CoA dehydrogenase (NADP(+)), EC 1.3.1.8." [] subset: 3_STAR synonym: "2-enoyl-CoA reductase inhibitor" RELATED [ChEBI] synonym: "2-enoyl-CoA reductase inhibitors" RELATED [ChEBI] synonym: "acyl-CoA dehydrogenase (NADP(+)) (EC 1.3.1.8) inhibitor" RELATED [ChEBI] synonym: "acyl-CoA dehydrogenase (NADP(+)) (EC 1.3.1.8) inhibitors" RELATED [ChEBI] synonym: "acyl-CoA dehydrogenase (NADP(+)) inhibitor" RELATED [ChEBI] synonym: "acyl-CoA dehydrogenase (NADP(+)) inhibitors" RELATED [ChEBI] synonym: "acyl-CoA:NADP(+) 2-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "acyl-CoA:NADP(+) 2-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "crotonyl coenzyme A reductase inhibitor" RELATED [ChEBI] synonym: "crotonyl coenzyme A reductase inhibitors" RELATED [ChEBI] synonym: "crotonyl-CoA reductase inhibitor" RELATED [ChEBI] synonym: "crotonyl-CoA reductase inhibitors" RELATED [ChEBI] synonym: "dehydrogenase, acyl coenzyme A (nicotinamide adenine dinucleotide phosphate) inhibitor" RELATED [ChEBI] synonym: "dehydrogenase, acyl coenzyme A (nicotinamide adenine dinucleotide phosphate) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.8 inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.8 inhibitors" RELATED [ChEBI] synonym: "enoyl coenzyme A reductase inhibitor" RELATED [ChEBI] synonym: "enoyl coenzyme A reductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Acyl-CoA_dehydrogenase_(NADP%2B) is_a: CHEBI:76857 ! EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:78433 name: refrigerant namespace: chebi_ontology def: "A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a \"R\" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure." [] subset: 3_STAR synonym: "refrigerants" RELATED [ChEBI] xref: Wikipedia:Refrigerant is_a: CHEBI:33232 ! application [Term] id: CHEBI:78604 name: ursodeoxycholate namespace: chebi_ontology def: "A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate" EXACT IUPAC_NAME [IUPAC] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "391.285" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "391.56460" RELATED MASS [ChEBI] synonym: "C24H39O4" RELATED FORMULA [ChEBI] synonym: "C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C" RELATED SMILES [ChEBI] synonym: "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "RUDATBOHQWOJDD-UZVSRGJWSA-M" RELATED InChIKey [ChEBI] synonym: "ursodeoxycholate" EXACT [UniProt] xref: Reaxys:5305486 "Reaxys" is_a: CHEBI:131878 ! cholanic acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:9907 ! ursodeoxycholic acid [Term] id: CHEBI:78608 name: alpha-amino acid zwitterion namespace: chebi_ontology alt_id: CHEBI:83409 def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "74.024" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[NH3+]C([*])C([O-])=O" RELATED SMILES [ChEBI] synonym: "an alpha-amino acid" RELATED [UniProt] synonym: "C2H4NO2R" RELATED FORMULA [ChEBI] xref: MetaCyc:Alpha-Amino-Acids "SUBMITTER" is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:33704 ! alpha-amino acid [Term] id: CHEBI:78616 name: carbohydrates and carbohydrate derivatives namespace: chebi_ontology def: "Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation." [] subset: 3_STAR synonym: "carbohydrates and derivatives" RELATED [ChEBI] synonym: "carbohydrates and their derivatives" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:78675 name: fundamental metabolite namespace: chebi_ontology def: "Any metabolite produced by all living cells." [] subset: 3_STAR synonym: "essential metabolite" RELATED [ChEBI] synonym: "essential metabolites" RELATED [ChEBI] synonym: "fundamental metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite relationship: MCO:0000858 MCO:0000864 ! sucrose 15% carbon source [Term] id: CHEBI:78682 name: D-fructose 1,6-bisphosphate namespace: chebi_ontology def: "A ketohexose bisphosphate that is D-fructose substituted by phosphate groups at positions 1 and 6. It is an intermediate in the glycolysis metabolic pathway." [] subset: 3_STAR synonym: "Diphosphofructose" RELATED [HMDB] xref: HMDB:HMDB01058 xref: Wikipedia:Fructose_1\,6-bisphosphate is_a: CHEBI:24970 ! ketohexose bisphosphate relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:78737 name: fructose 1-phosphate namespace: chebi_ontology def: "A ketohexose monophosphate consisting of fructose having a phosphate group located at the 1-position" [] subset: 3_STAR xref: Wikipedia:Fructose_1-phosphate is_a: CHEBI:24971 ! ketohexose monophosphate relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] id: CHEBI:78840 name: olefinic compound namespace: chebi_ontology def: "Any organic molecular entity that contains at least one C=C bond." [] subset: 3_STAR synonym: "olefinic compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:78870 name: sodium nitrite namespace: chebi_ontology def: "An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "68.983" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "68.99530" RELATED MASS [ChEBI] synonym: "[Na+].[O-]N=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1" RELATED InChI [ChEBI] synonym: "LPXPTNMVRIOKMN-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "NaNO2" RELATED [ChEBI] synonym: "Natrium nitrit" RELATED [ChemIDplus] synonym: "Nitrite de sodium" RELATED [ChemIDplus] synonym: "Nitrito sodico" RELATED [ChemIDplus] synonym: "NNaO2" RELATED FORMULA [ChEBI] synonym: "sodium nitrite" EXACT IUPAC_NAME [IUPAC] xref: CAS:7632-00-0 "KEGG DRUG" xref: colombos:NaNO2 xref: KEGG:D05865 xref: PMID:24200576 "Europe PMC" xref: PMID:24266433 "Europe PMC" xref: PMID:24333935 "Europe PMC" xref: PMID:24363302 "Europe PMC" xref: PMID:24535441 "Europe PMC" xref: PMID:24639423 "Europe PMC" xref: PMID:24658348 "Europe PMC" xref: PMID:24834717 "Europe PMC" xref: PMID:24861891 "Europe PMC" xref: PMID:24878382 "Europe PMC" xref: PMID:24898570 "Europe PMC" xref: PMID:24929713 "Europe PMC" xref: Reaxys:906771 "Reaxys" xref: Wikipedia:Sodium_nitrite is_a: CHEBI:38702 ! inorganic sodium salt is_a: CHEBI:46648 ! nitrite salt relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:64909 ! poison relationship: has_role CHEBI:65256 ! antimicrobial food preservative relationship: has_role CHEBI:77962 ! food antioxidant relationship: has_role CHEBI:90749 ! antidote to cyanide poisoning [Term] id: CHEBI:78947 name: archaeal metabolite namespace: chebi_ontology def: "Any prokaryotic metabolite produced during a metabolic reaction in single-celled microorganisms, archaea." [] subset: 3_STAR synonym: "archaeal metabolites" RELATED [ChEBI] is_a: CHEBI:75787 ! prokaryotic metabolite [Term] id: CHEBI:79020 name: alpha,beta-unsaturated monocarboxylic acid namespace: chebi_ontology def: "A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond." [] subset: 3_STAR synonym: "2,3-unsaturated monocarboxylic acid" RELATED [ChEBI] synonym: "2,3-unsaturated monocarboxylic acids" RELATED [ChEBI] synonym: "alpha,beta-unsaturated monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid [Term] id: CHEBI:79089 name: ceric oxide namespace: chebi_ontology def: "A metal oxide with formula CeO2. It is used for polishing glass, in coatings for infra-red filters to prevent reflection, and as an oxidant and catalyst in organic synthesis." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "171.895" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "172.11500" RELATED MASS [ChEBI] synonym: "CeO2" RELATED FORMULA [ChEBI] synonym: "CeO2" RELATED [ChEBI] synonym: "ceria" RELATED [ChemIDplus] synonym: "ceric dioxide" RELATED [ChemIDplus] synonym: "cerium dioxide" RELATED [ChemIDplus] synonym: "cerium(4+) oxide" RELATED [ChemIDplus] synonym: "cerium(IV) oxide" RELATED [ChEBI] synonym: "cerium(IV)dioxide" RELATED [ChemIDplus] synonym: "CETPSERCERDGAM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "dioxocerium" EXACT IUPAC_NAME [IUPAC] synonym: "InChI=1S/Ce.2O" RELATED InChI [ChEBI] synonym: "O=[Ce]=O" RELATED SMILES [ChEBI] xref: CAS:1306-38-3 "ChemIDplus" xref: Patent:US2564241 xref: PMID:21787599 "Europe PMC" xref: PMID:24300997 "Europe PMC" xref: Reaxys:11323272 "Reaxys" xref: Reaxys:23048445 "Reaxys" xref: Wikipedia:Cerium(IV)_oxide is_a: CHEBI:133331 ! metal oxide is_a: CHEBI:37261 ! cerium molecular entity [Term] id: CHEBI:7916 name: pantothenic acid namespace: chebi_ontology def: "A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "219.111" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "219.23502" RELATED MASS [ChEBI] synonym: "3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "C9H17NO5" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(C)(CO)C(O)C(=O)NCCC(O)=O" RELATED SMILES [ChEBI] synonym: "GHOKWGTUZJEAQD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)" RELATED InChI [ChEBI] synonym: "N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine" RELATED [ChEBI] synonym: "Pantothenic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1727062 "Beilstein" xref: CAS:599-54-2 "ChemIDplus" xref: colombos:PANTOTHENIC_ACID xref: DrugBank:DB01783 xref: HMDB:HMDB00210 xref: KEGG:C00864 xref: KEGG:D07413 xref: PMID:24727172 "Europe PMC" xref: Reaxys:1727062 "Reaxys" xref: Wikipedia:Pantothenic_acid is_a: CHEBI:25848 ! pantothenic acids relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:16454 ! pantothenate [Term] id: CHEBI:7934 name: paromomycin namespace: chebi_ontology alt_id: CHEBI:44703 def: "An amino cyclitol glycoside that is the 1-O-(2-amino-2-deoxy-alpha-D-glucopyranoside) and the 3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranoside of 4,6-diamino-2,3-dihydroxycyclohexane (the 1R,2R,3S,4R,6S diastereoisomer). It is obtained from various Streptomyces species. A broad-spectrum antibiotic, it is used (generally as the sulfate salt) for the treatment of acute and chronic intestinal protozoal infections, but is not effective for extraintestinal protozoal infections. It is also used as a therapeutic against visceral leishmaniasis." [] subset: 3_STAR synonym: "(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside" RELATED [PDBeChem] synonym: "0" RELATED CHARGE [ChEBI] synonym: "615.296" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "615.62850" RELATED MASS [ChEBI] synonym: "Aminosidin" RELATED [KEGG_COMPOUND] synonym: "aminosidine" RELATED [ChemIDplus] synonym: "C23H45N5O14" RELATED FORMULA [ChEBI] synonym: "Catenulin" RELATED [KEGG_COMPOUND] synonym: "crestomycin" RELATED [ChemIDplus] synonym: "estomycin" RELATED [ChemIDplus] synonym: "Hydroxymycin" RELATED [KEGG_COMPOUND] synonym: "hydroxymycin" RELATED [ChemIDplus] synonym: "InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1" RELATED InChI [ChEBI] synonym: "Monomycin A" RELATED [KEGG_COMPOUND] synonym: "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI] synonym: "Neomycin E" RELATED [KEGG_COMPOUND] synonym: "neomycin E" RELATED [ChemIDplus] synonym: "paromomicina" RELATED INN [ChemIDplus] synonym: "PAROMOMYCIN" EXACT [PDBeChem] synonym: "Paromomycin" EXACT [KEGG_COMPOUND] synonym: "paromomycin" RELATED INN [WHO_MedNet] synonym: "Paromomycin I" RELATED [KEGG_COMPOUND] synonym: "paromomycine" RELATED INN [ChemIDplus] synonym: "paromomycinum" RELATED INN [ChemIDplus] synonym: "paucimycin" RELATED [ChemIDplus] synonym: "paucimycinum" RELATED [ChemIDplus] synonym: "R 400" RELATED [ChemIDplus] synonym: "R-400" RELATED [ChEBI] synonym: "UOZODPSAJZTQNH-LSWIJEOBSA-N" RELATED InChIKey [ChEBI] synonym: "Zygomycin A1" RELATED [KEGG_COMPOUND] xref: CAS:7542-37-2 "KEGG COMPOUND" xref: colombos:PAROMOMYCIN xref: colombos:PAROMOMYCIN\:+UNKNOWN xref: Drug_Central:2067 "DrugCentral" xref: DrugBank:DB01421 xref: KEGG:C00832 xref: KEGG:D07467 xref: Patent:US2895876 xref: Patent:US2916485 xref: PDBeChem:PAR xref: PMID:18447603 "Europe PMC" xref: PMID:18947845 "Europe PMC" xref: PMID:8036682 "Europe PMC" xref: Reaxys:72285 "Reaxys" is_a: CHEBI:22479 ! amino cyclitol glycoside is_a: CHEBI:22507 ! aminoglycoside antibiotic relationship: has_functional_parent CHEBI:27955 ! streptamine relationship: has_role CHEBI:35443 ! anthelminthic drug relationship: has_role CHEBI:35820 ! antiprotozoal drug relationship: has_role CHEBI:36047 ! antibacterial drug [Term] id: CHEBI:79387 name: trivalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of three." [] subset: 3_STAR synonym: "trivalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:79388 name: divalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of two." [] subset: 3_STAR synonym: "divalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:79389 name: monovalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of one." [] subset: 3_STAR synonym: "monovalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:80291 name: aliphatic nitrile namespace: chebi_ontology def: "Any nitrile derived from an aliphatic compound." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "26.003" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]C#N" RELATED SMILES [ChEBI] synonym: "an aliphatic nitrile" RELATED [UniProt] synonym: "CNR" RELATED FORMULA [ChEBI] xref: KEGG:C16072 is_a: CHEBI:18379 ! nitrile [Term] id: CHEBI:80368 name: L-Ascorbate 6-phosphate namespace: chebi_ontology subset: 2_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "255.998" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "256.10400" RELATED MASS [ChEBI] synonym: "C6H9O9P" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/t2?,5-/m1/s1" RELATED InChI [ChEBI] synonym: "KIENGQUGHPTFGC-DOAHDZERSA-N" RELATED InChIKey [ChEBI] synonym: "OC(COP(O)(O)=O)[C@H]1OC(=O)C(O)=C1O" RELATED SMILES [ChEBI] xref: KEGG:C16186 is_a: CHEBI:25381 ! monoalkyl phosphate [Term] id: CHEBI:82655 name: animal growth promotant namespace: chebi_ontology def: "Substances that are administered to farmed animals to improve productivity by promoting weight gain, increasing muscle mass, limiting fat deposition, reducing feed consumption, and reducing waste production." [] subset: 3_STAR synonym: "animal growth promotants" RELATED [ChEBI] synonym: "animal growth promoter" RELATED [ChEBI] synonym: "animal growth promoters" RELATED [ChEBI] xref: PMID:22444918 "Europe PMC" xref: PMID:2745641 "Europe PMC" xref: PMID:6226938 "Europe PMC" is_a: CHEBI:33286 ! agrochemical [Term] id: CHEBI:82663 name: elemental iron namespace: chebi_ontology def: "An elemental molecular entity in which all of the atoms have atomic number 26." [] subset: 3_STAR is_a: CHEBI:24873 ! iron molecular entity is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:8273 name: plumbagin namespace: chebi_ontology def: "A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "188.047" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "188.17942" RELATED MASS [ChEBI] synonym: "2-methyl-5-hydroxy-1,4-naphthoquinone" RELATED [ChemIDplus] synonym: "2-methyljuglone" RELATED [ChEBI] synonym: "5-hydroxy-2-methyl-1,4-naphthalenedione" RELATED [ChemIDplus] synonym: "5-hydroxy-2-methyl-1,4-naphthoquinone" RELATED [ChEBI] synonym: "5-hydroxy-2-methylnaphthalene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "C11H8O3" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC1=CC(=O)c2c(O)cccc2C1=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3" RELATED InChI [ChEBI] synonym: "plumbaein" RELATED [ChEBI] synonym: "Plumbagin" EXACT [KEGG_COMPOUND] synonym: "plumbagine" RELATED [MetaCyc] synonym: "plumbagone" RELATED [ChEBI] synonym: "VCMMXZQDRFWYSE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:1870475 "ChemIDplus" xref: CAS:481-42-5 "ChemIDplus" xref: Gmelin:959690 "Gmelin" xref: KEGG:C10387 xref: KNApSAcK:C00002852 xref: LINCS:LSM-37061 xref: MetaCyc:CPD-4461 xref: Patent:CN1473468 xref: Patent:IN183682 xref: Patent:IN191797 xref: PMID:14727919 "Europe PMC" xref: PMID:14762525 "Europe PMC" xref: PMID:16078700 "Europe PMC" xref: PMID:16624823 "Europe PMC" xref: PMID:18974148 "Europe PMC" xref: PMID:19748668 "Europe PMC" xref: PMID:20858709 "Europe PMC" xref: PMID:21064184 "Europe PMC" xref: PMID:21559086 "Europe PMC" xref: PMID:21658027 "Europe PMC" xref: PMID:21741707 "Europe PMC" xref: Reaxys:1870475 "Reaxys" xref: Wikipedia:Plumbagin is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone is_a: CHEBI:33853 ! phenols relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:50847 ! immunological adjuvant [Term] id: CHEBI:82828 name: oleanolate namespace: chebi_ontology def: "A monocarboxylic acid anion that is the conjugate base of oleanolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "3beta-hydroxyolean-12-en-28-oate" EXACT IUPAC_NAME [IUPAC] synonym: "455.353" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "455.69290" RELATED MASS [ChEBI] synonym: "C30H47O3" RELATED FORMULA [ChEBI] synonym: "CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C([O-])=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/p-1/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1" RELATED InChI [ChEBI] synonym: "MIJYXULNPSFWEK-GTOFXWBISA-M" RELATED InChIKey [ChEBI] synonym: "oleanolate" EXACT [UniProt] xref: PMID:18835348 "SUBMITTER" is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:37659 ! oleanolic acid [Term] id: CHEBI:83039 name: crustacean metabolite namespace: chebi_ontology def: "An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill." [] subset: 3_STAR synonym: "crustacean metabolites" RELATED [ChEBI] is_a: CHEBI:75767 ! animal metabolite [Term] id: CHEBI:83056 name: Daphnia magna metabolite namespace: chebi_ontology def: "A Daphnia metabolite produced by the species Daphnia magna." [] subset: 3_STAR synonym: "Daphnia magna metabolites" RELATED [ChEBI] is_a: CHEBI:83057 ! Daphnia metabolite [Term] id: CHEBI:83057 name: Daphnia metabolite namespace: chebi_ontology def: "A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia" [] subset: 3_STAR synonym: "Daphnia metabolites" RELATED [ChEBI] xref: Wikipedia:Daphnia is_a: CHEBI:83039 ! crustacean metabolite [Term] id: CHEBI:8309 name: polymyxin B1 namespace: chebi_ontology def: "A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "1202.750" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "1203.47670" RELATED MASS [ChEBI] synonym: "4,10-anhydro{N-[(6R)-6-methyloctanoyl]-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-phenylalanyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine}" EXACT IUPAC_NAME [IUPAC] synonym: "C56H98N16O13" RELATED FORMULA [ChEBI] synonym: "CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32-,33-,34-,36+,37+,38+,39+,40+,41+,42+,43-,45+,46+/m1/s1" RELATED InChI [ChEBI] synonym: "polymycin B" RELATED [ChEBI] synonym: "Polymyxin B(1)" RELATED [ChEBI] synonym: "polymyxin B1" EXACT [ChEBI] synonym: "WQVJHHACXVLGBL-GOVYWFKWSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:8609638 "Beilstein" xref: CAS:4135-11-9 "ChemIDplus" xref: PMID:13058849 "Europe PMC" xref: PMID:14212410 "Europe PMC" xref: PMID:1650428 "Europe PMC" xref: PMID:26803416 "Europe PMC" xref: Reaxys:9838039 "Reaxys" is_a: CHEBI:59062 ! polymyxin [Term] id: CHEBI:8310 name: Polymyxin B sulfate namespace: chebi_ontology subset: 2_STAR synonym: "C55H95N16O13R.(H2O4S)x" RELATED FORMULA [KEGG_COMPOUND] synonym: "Polymixin B sulfate" RELATED [KEGG_COMPOUND] synonym: "Polymyxin B sulfate" EXACT [KEGG_COMPOUND] xref: CAS:1405-20-5 "KEGG COMPOUND" xref: KEGG:C11613 xref: KEGG:D01066 is_a: CHEBI:60027 ! polymer [Term] id: CHEBI:83169 name: N-acyl homoserine lactone namespace: chebi_ontology def: "A monocarboxylic acid amide that is the N-acyl derivative of homoserine lactone. They are a class of autoinducers generally involved in bacterial quorum sensing." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "128.035" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "[*]C(=O)NC1CCOC1=O" RELATED SMILES [ChEBI] synonym: "AHLs" RELATED [ChEBI] synonym: "C5H6NO3R" RELATED FORMULA [ChEBI] synonym: "N-acyl homoserine lactones" RELATED [ChEBI] synonym: "N-AHLs" RELATED [ChEBI] xref: Wikipedia:N-Acyl_homoserine_lactone is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:37581 ! gamma-lactone relationship: has_functional_parent CHEBI:17289 ! homoserine lactone relationship: has_role CHEBI:71338 ! autoinducer [Term] id: CHEBI:83347 name: organosulfonic ester namespace: chebi_ontology def: "An ester resulting from the formal condensation of the hydroxy group of an alcohol, phenol, heteroarenol, or enol with an organosulfonic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "79.957" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "80.06300" RELATED MASS [ChEBI] synonym: "[*]S(=O)(=O)O[*]" RELATED SMILES [ChEBI] synonym: "O3SR2" RELATED FORMULA [ChEBI] synonym: "organosulfonate ester" RELATED [ChEBI] synonym: "organosulfonate esters" RELATED [ChEBI] synonym: "organosulfonic esters" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative is_a: CHEBI:35701 ! ester relationship: has_functional_parent CHEBI:33551 ! organosulfonic acid [Term] id: CHEBI:83403 name: monochlorobenzenes namespace: chebi_ontology def: "Any member of the class of chlorobenzenes containing a mono- or poly-substituted benzene ring in which only one substituent is chlorine." [] subset: 3_STAR is_a: CHEBI:23132 ! chlorobenzenes [Term] id: CHEBI:83811 name: proteinogenic amino acid derivative namespace: chebi_ontology def: "Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom." [] subset: 3_STAR synonym: "canonical amino acid derivative" RELATED [ChEBI] synonym: "canonical amino acid derivatives" RELATED [ChEBI] synonym: "canonical amino-acid derivative" RELATED [ChEBI] synonym: "canonical amino-acid derivatives" RELATED [ChEBI] synonym: "proteinogenic amino acid derivatives" RELATED [ChEBI] synonym: "proteinogenic amino-acid derivative" RELATED [ChEBI] synonym: "proteinogenic amino-acid derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:83812 name: non-proteinogenic amino acid derivative namespace: chebi_ontology def: "Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom." [] subset: 3_STAR synonym: "non-canonical amino acid derivative" RELATED [ChEBI] synonym: "non-canonical amino-acid derivatives" RELATED [ChEBI] synonym: "non-proteinogenic amino-acid derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:83813 name: proteinogenic amino acid namespace: chebi_ontology def: "Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration." [] subset: 3_STAR synonym: "canonical amino acid" RELATED [ChEBI] synonym: "canonical amino acids" RELATED [ChEBI] synonym: "proteinogenic amino acids" RELATED [ChEBI] xref: Wikipedia:Proteinogenic_amino_acid is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:83820 name: non-proteinogenic amino acid namespace: chebi_ontology def: "Any amino-acid that is not naturally encoded in the genetic code of any organism." [] subset: 3_STAR synonym: "non-canonical amino acid" RELATED [ChEBI] synonym: "non-canonical amino acids" RELATED [ChEBI] synonym: "non-canonical amino-acid" RELATED [ChEBI] synonym: "non-canonical amino-acids" RELATED [ChEBI] synonym: "non-coded amino acid" RELATED [ChEBI] synonym: "non-coded amino acids" RELATED [ChEBI] synonym: "non-coded amino-acid" RELATED [ChEBI] synonym: "non-coded amino-acids" RELATED [ChEBI] synonym: "non-proteinogenic amino acids" RELATED [ChEBI] synonym: "non-proteinogenic amino-acid" RELATED [ChEBI] synonym: "non-proteinogenic amino-acids" RELATED [ChEBI] xref: Wikipedia:Non-proteinogenic_amino_acids is_a: CHEBI:33709 ! amino acid [Term] id: CHEBI:83821 name: amino acid derivative namespace: chebi_ontology alt_id: CHEBI:25359 def: "Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues." [] subset: 3_STAR synonym: "amino acid derivatives" RELATED [ChEBI] synonym: "modified amino acids" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:83824 name: L-cysteine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from the formal reaction of L-cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of L-cysteine by a heteroatom." [] subset: 3_STAR synonym: "L-cysteine derivatives" RELATED [ChEBI] is_a: CHEBI:23509 ! cysteine derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:17561 ! L-cysteine [Term] id: CHEBI:8386 name: pregnane namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "288.282" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "288.51054" RELATED MASS [ChEBI] synonym: "[H][C@]1(CC)CC[C@@]2([H])[C@]3([H])CCC4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C" RELATED SMILES [ChEBI] synonym: "C21H36" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16?,17-,18-,19-,20-,21+/m0/s1" RELATED InChI [ChEBI] synonym: "JWMFYGXQPXQEEM-WZBAXQLOSA-N" RELATED InChIKey [ChEBI] synonym: "pregnane" EXACT IUPAC_NAME [IUPAC] xref: CAS:481-26-5 "KEGG COMPOUND" xref: KEGG:C01523 is_a: CHEBI:35508 ! steroid fundamental parent [Term] id: CHEBI:83925 name: non-proteinogenic alpha-amino acid namespace: chebi_ontology def: "Any alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids." [] subset: 3_STAR synonym: "non-proteinogenic alpha-amino acids" RELATED [ChEBI] synonym: "non-proteinogenic alpha-amino-acid" RELATED [ChEBI] synonym: "non-proteinogenic alpha-amino-acids" RELATED [ChEBI] is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:83820 ! non-proteinogenic amino acid [Term] id: CHEBI:84055 name: pentose phosphate namespace: chebi_ontology def: "Any phospho sugar that is the phosphate derivative of pentose." [] subset: 3_STAR synonym: "pentose phosphates" RELATED [ChEBI] is_a: CHEBI:33447 ! phospho sugar is_a: CHEBI:63409 ! pentose derivative [Term] id: CHEBI:84087 name: human urinary metabolite namespace: chebi_ontology def: "Any metabolite (endogenous or exogenous) found in human urine samples." [] subset: 3_STAR synonym: "human urinary metabolites" RELATED [ChEBI] is_a: CHEBI:77746 ! human metabolite [Term] id: CHEBI:84135 name: L-serine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of L-serine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-serine by a heteroatom." [] subset: 3_STAR synonym: "L-serine derivatives" RELATED [ChEBI] is_a: CHEBI:26649 ! serine derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:17115 ! L-serine [Term] id: CHEBI:84189 name: L-threonine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of L-threonine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-threonine by a heteroatom." [] subset: 3_STAR synonym: "L-threonine derivatives" RELATED [ChEBI] is_a: CHEBI:26987 ! threonine derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:16857 ! L-threonine [Term] id: CHEBI:8452 name: 3,6-diaminoacridine namespace: chebi_ontology alt_id: CHEBI:44910 alt_id: CHEBI:45272 def: "An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,8-Diaminoacridine" RELATED [ChemIDplus] synonym: "209.095" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "209.24650" RELATED MASS [ChEBI] synonym: "3,6-acridinediamine" RELATED [ChEBI] synonym: "acridine-3,6-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "C13H11N3" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2" RELATED InChI [ChEBI] synonym: "Nc1ccc2cc3ccc(N)cc3nc2c1" RELATED SMILES [ChEBI] synonym: "Proflavin" RELATED [ChemIDplus] synonym: "proflavina" RELATED INN [ChemIDplus] synonym: "proflavine" RELATED INN [WHO_MedNet] synonym: "proflavine" RELATED INN [ChEBI] synonym: "proflavinum" RELATED INN [ChemIDplus] synonym: "WDVSHHCDHLJJJR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:166050 "Beilstein" xref: CAS:92-62-6 "NIST Chemistry WebBook" xref: Drug_Central:2277 "DrugCentral" xref: DrugBank:DB01123 xref: KEGG:C11181 xref: PDBeChem:PRL xref: PMID:11960666 "Europe PMC" xref: PMID:20178341 "Europe PMC" xref: PMID:21435875 "Europe PMC" xref: PMID:2242050 "Europe PMC" xref: PMID:22555876 "Europe PMC" xref: PMID:22978751 "Europe PMC" xref: PMID:6987510 "Europe PMC" xref: PMID:7009393 "Europe PMC" xref: PMID:8579793 "Europe PMC" xref: Reaxys:166050 "Reaxys" xref: Wikipedia:Proflavine is_a: CHEBI:51803 ! aminoacridines relationship: has_role CHEBI:23240 ! chromophore relationship: has_role CHEBI:24853 ! intercalator relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: is_conjugate_base_of CHEBI:74711 ! 3,6-diaminoacridine(1+) [Term] id: CHEBI:84561 name: 2,4-dinitrophenol(1-) namespace: chebi_ontology def: "A phenolate anion obtained from 2,4-dinitrophenol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "183.004" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "183.09900" RELATED MASS [ChEBI] synonym: "2,4-dinitrophenol" RELATED [UniProt] synonym: "2,4-Dinitrophenol ion(1-)" RELATED [ChemIDplus] synonym: "2,4-dinitrophenolate" EXACT IUPAC_NAME [IUPAC] synonym: "[O-]c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O" RELATED SMILES [ChEBI] synonym: "C6H3N2O5" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H/p-1" RELATED InChI [ChEBI] synonym: "UFBJCMHMOXMLKC-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] xref: CAS:20350-26-9 "ChemIDplus" xref: MetaCyc:CPD-8179 "SUBMITTER" xref: PMID:25281383 "Europe PMC" xref: Reaxys:3552508 "Reaxys" is_a: CHEBI:50525 ! phenolate anion relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:42017 ! 2,4-dinitrophenol [Term] id: CHEBI:8461 name: promethazine namespace: chebi_ontology def: "A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety." [] subset: 3_STAR synonym: "(2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiazine" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "10-(2-Dimethylaminopropyl)phenothiazine" RELATED [KEGG_COMPOUND] synonym: "10-[2-(dimethylamino)propyl]phenothiazine" RELATED [NIST_Chemistry_WebBook] synonym: "284.135" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "284.42018" RELATED MASS [ChEBI] synonym: "C17H20N2S" RELATED FORMULA [KEGG_COMPOUND] synonym: "CC(CN1c2ccccc2Sc2ccccc12)N(C)C" RELATED SMILES [ChEBI] synonym: "InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3" RELATED InChI [ChEBI] synonym: "N,N,alpha-trimethyl-10H-phenothiazine-10-ethanamine" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "N-(2'-dimethylamino-2'-methyl)ethylphenothiazine" RELATED [ChemIDplus] synonym: "proazamine" RELATED [ChemIDplus] synonym: "prometazina" RELATED INN [ChEBI] synonym: "Promethazine" EXACT [KEGG_COMPOUND] synonym: "promethazine" RELATED INN [ChEBI] synonym: "promethazinum" RELATED INN [ChEBI] synonym: "PWWVAXIEGOYWEE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] xref: Beilstein:88554 "Beilstein" xref: CAS:60-87-7 "KEGG COMPOUND" xref: colombos:PROMETHAZIN xref: colombos:PROMETHAZIN\:+UNKNOWN xref: Drug_Central:2286 "DrugCentral" xref: DrugBank:DB01069 xref: Gmelin:337077 "Gmelin" xref: HMDB:HMDB15202 xref: KEGG:C07404 xref: KEGG:D00494 xref: LINCS:LSM-4440 xref: Patent:US2530451 xref: Patent:US2607773 xref: Reaxys:88554 "Reaxys" xref: Wikipedia:Promethazine is_a: CHEBI:32876 ! tertiary amine is_a: CHEBI:38093 ! phenothiazines relationship: has_role CHEBI:35717 ! sedative relationship: has_role CHEBI:36333 ! local anaesthetic relationship: has_role CHEBI:37955 ! H1-receptor antagonist relationship: has_role CHEBI:50857 ! anti-allergic agent relationship: has_role CHEBI:50919 ! antiemetic relationship: has_role CHEBI:59683 ! antipruritic drug relationship: is_conjugate_base_of CHEBI:61214 ! promethazine(1+) [Term] id: CHEBI:84688 name: Fe(III)-complexed hydroxamate siderophore namespace: chebi_ontology def: "Any iron(III) hydroxamate in which the hydroxamate component is a siderophore." [] subset: 3_STAR synonym: "Fe(III)-complexed hydroxamate siderophores" RELATED [ChEBI] synonym: "Fe(III)-hydroxamate siderophore" RELATED [ChEBI] synonym: "Fe(III)-hydroxamate siderophores" RELATED [ChEBI] synonym: "ferric-hydroxamate type siderophore" RELATED [ChEBI] synonym: "ferric-hydroxamate type siderophores" RELATED [ChEBI] is_a: CHEBI:28163 ! iron(III) hydroxamate is_a: CHEBI:84734 ! Fe(III)-complexed siderophore [Term] id: CHEBI:84700 name: desferrioxamine B(3-) namespace: chebi_ontology def: "A hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrioxamine B" [] subset: 3_STAR synonym: "-3" RELATED CHARGE [ChEBI] synonym: "557.330" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "557.66180" RELATED MASS [ChEBI] synonym: "[acetyl(27-amino-11,22-dioxido-7,10,18,21-tetraoxo-6,11,17,22-tetraazaheptacos-1-yl)amino]oxidanide" EXACT IUPAC_NAME [IUPAC] synonym: "C25H45N6O8" RELATED FORMULA [ChEBI] synonym: "CC(=O)N([O-])CCCCCNC(=O)CCC(=O)N([O-])CCCCCNC(=O)CCC(=O)N([O-])CCCCCN" RELATED SMILES [ChEBI] synonym: "InChI=1S/C25H45N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h2-20,26H2,1H3,(H,27,33)(H,28,34)/q-3" RELATED InChI [ChEBI] synonym: "ZTZKLNOYBOAHJQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:24648 ! hydroxamic acid anion relationship: has_role CHEBI:26672 ! siderophore relationship: is_conjugate_base_of CHEBI:4356 ! desferrioxamine B [Term] id: CHEBI:84734 name: Fe(III)-complexed siderophore namespace: chebi_ontology def: "Any iron chelate that consists of a siderophore complexed to iron(III)" [] subset: 3_STAR synonym: "Fe(III)-complexed siderophores" RELATED [ChEBI] synonym: "Fe(III)-siderophore" RELATED [ChEBI] synonym: "Fe(III)-siderophores" RELATED [ChEBI] synonym: "ferric siderophore" RELATED [ChEBI] synonym: "ferric siderophores" RELATED [ChEBI] is_a: CHEBI:5975 ! iron chelate [Term] id: CHEBI:84735 name: algal metabolite namespace: chebi_ontology def: "Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae." [] subset: 3_STAR synonym: "algal metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:85046 name: skin lightening agent namespace: chebi_ontology def: "Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin." [] subset: 3_STAR synonym: "melanogenesis inhibitor" RELATED [ChEBI] synonym: "melanogenesis inhibitors" RELATED [ChEBI] synonym: "skin bleaching agent" RELATED [ChEBI] synonym: "skin bleaching agents" RELATED [ChEBI] synonym: "skin depigmenting agent" RELATED [ChEBI] synonym: "skin depigmenting agents" RELATED [ChEBI] synonym: "skin lightening agents" RELATED [ChEBI] synonym: "skin whitening agent" RELATED [ChEBI] synonym: "skin whitening agents" RELATED [ChEBI] xref: PMID:21265866 "Europe PMC" xref: PMID:22132817 "Europe PMC" xref: PMID:22314516 "Europe PMC" xref: PMID:23891889 "Europe PMC" xref: PMID:23974587 "Europe PMC" xref: PMID:25535470 "Europe PMC" xref: PMID:25574195 "Europe PMC" xref: PMID:25643794 "Europe PMC" xref: Wikipedia:Skin_whitening is_a: CHEBI:64857 ! cosmetic [Term] id: CHEBI:85184 name: dihydroxycholanic acid namespace: chebi_ontology def: "Any member of the class of cholanic acids carrying two hydroxy substituents at unspecified positions." [] subset: 3_STAR synonym: "dihydroxycholanic acids" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:36278 ! cholanic acids [Term] id: CHEBI:85234 name: human blood serum metabolite namespace: chebi_ontology def: "Any metabolite (endogenous or exogenous) found in human blood serum samples." [] subset: 3_STAR synonym: "human blood serum metabolites" RELATED [ChEBI] is_a: CHEBI:77746 ! human metabolite [Term] id: CHEBI:85638 name: haloacetate(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a haloacetic acid." [] subset: 3_STAR synonym: "-1" RELATED CHARGE [ChEBI] synonym: "58.03660" RELATED MASS [ChEBI] synonym: "[O-]C(=O)C*" RELATED SMILES [ChEBI] synonym: "a haloacetate" RELATED [UniProt] synonym: "C2H2O2X" RELATED FORMULA [ChEBI] synonym: "haloacetate (1-)" RELATED [ChEBI] xref: MetaCyc:Haloacetates is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_functional_parent CHEBI:30089 ! acetate relationship: is_conjugate_base_of CHEBI:16277 ! haloacetic acid [Term] id: CHEBI:86324 name: quinolone antibiotic namespace: chebi_ontology def: "An organonitrogen heterocyclic antibiotic whose structure contains a quinolone or quinolone-related skeleton." [] subset: 3_STAR synonym: "quinolone antibiotics" RELATED [ChEBI] is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic [Term] id: CHEBI:86327 name: antifungal drug namespace: chebi_ontology def: "Any antifungal agent used to prevent or treat fungal infections in humans or animals." [] subset: 3_STAR synonym: "anti-fungal drug" RELATED [ChEBI] synonym: "anti-fungal drugs" RELATED [ChEBI] synonym: "anti-fungal medication" RELATED [ChEBI] synonym: "anti-fungal medications" RELATED [ChEBI] synonym: "antifungal drugs" RELATED [ChEBI] synonym: "antifungal medication" RELATED [ChEBI] synonym: "antifungal medications" RELATED [ChEBI] synonym: "pharmaceutical fungicide" RELATED [ChEBI] synonym: "pharmaceutical fungicides" RELATED [ChEBI] xref: Wikipedia:Antifungal is_a: CHEBI:35441 ! antiinfective agent is_a: CHEBI:35718 ! antifungal agent [Term] id: CHEBI:86328 name: antifungal agrochemical namespace: chebi_ontology def: "Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties." [] subset: 3_STAR synonym: "agrichemical fungicide" RELATED [ChEBI] synonym: "agrichemical fungicides" RELATED [ChEBI] synonym: "agrochemical fungicide" RELATED [ChEBI] synonym: "agrochemical fungicides" RELATED [ChEBI] synonym: "anti-fungal agrichemical" RELATED [ChEBI] synonym: "anti-fungal agrichemicals" RELATED [ChEBI] synonym: "anti-fungal agrochemical" RELATED [ChEBI] synonym: "anti-fungal agrochemicals" RELATED [ChEBI] synonym: "antifungal agrichemical" RELATED [ChEBI] synonym: "antifungal agrichemicals" RELATED [ChEBI] synonym: "antifungal agrochemicals" RELATED [ChEBI] is_a: CHEBI:24127 ! fungicide is_a: CHEBI:33286 ! agrochemical [Term] id: CHEBI:86359 name: L-gluconic acid namespace: chebi_ontology def: "A gluconic acid having L-configuration." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "196.058" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "196.15530" RELATED MASS [ChEBI] synonym: "C6H12O7" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m0/s1" RELATED InChI [ChEBI] synonym: "L-gluconic acid" EXACT IUPAC_NAME [IUPAC] synonym: "OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O" RELATED SMILES [ChEBI] synonym: "RGHNJXZEOKUKBD-KLVWXMOXSA-N" RELATED InChIKey [ChEBI] is_a: CHEBI:24266 ! gluconic acid relationship: is_enantiomer_of CHEBI:33198 ! D-gluconic acid [Term] id: CHEBI:86383 name: EC 5.3.3.* (intramolecular oxidase transposing C=C bonds) inhibitor namespace: chebi_ontology def: "An EC 5.3.* (intramolecular oxidoreductase) inhibitor that inhibits the action of any such enzyme that transposes C=C bonds (EC 5.3.3.*)." [] subset: 3_STAR synonym: "EC 5.3.3.* (intramolecular oxidase transposing C=C bonds) inhibitors" RELATED [ChEBI] synonym: "EC 5.3.3.* inhibitor" RELATED [ChEBI] synonym: "EC 5.3.3.* inhibitors" RELATED [ChEBI] synonym: "intramolecular oxidase transposing C=C bonds inhibitor (EC 5.3.3.*) inhibitor" RELATED [ChEBI] synonym: "intramolecular oxidase transposing C=C bonds inhibitor (EC 5.3.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76694 ! EC 5.3.* (intramolecular oxidoreductase) inhibitor [Term] id: CHEBI:86385 name: EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor namespace: chebi_ontology subset: 1_STAR synonym: "cholestenol Delta-isomerase (EC 5.3.3.5) inhibitor" RELATED [ChEBI] synonym: "cholestenol Delta-isomerase (EC 5.3.3.5) inhibitors" RELATED [ChEBI] synonym: "Delta(7)-cholestenol Delta(7)-Delta(8)-isomerase inhibitor" RELATED [ChEBI] synonym: "Delta(7)-cholestenol Delta(7)-Delta(8)-isomerase inhibitors" RELATED [ChEBI] synonym: "EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.3.3.5 inhibitor" RELATED [ChEBI] synonym: "EC 5.3.3.5 inhibitors" RELATED [ChEBI] xref: Wikipedia:Cholestenol_Delta-isomerase is_a: CHEBI:86383 ! EC 5.3.3.* (intramolecular oxidase transposing C=C bonds) inhibitor [Term] id: CHEBI:86478 name: antibiotic antifungal agent namespace: chebi_ontology def: "Heteroorganic entities that are microbial metabolites (or compounds derived from them) which have significant antifungal properties." [] subset: 3_STAR synonym: "antibiotic antifungal agents" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:87113 name: antibiotic antifungal drug namespace: chebi_ontology def: "Any antibiotic antifungal agent used to treat fungal infections in humans or animals." [] subset: 3_STAR synonym: "antibiotic antifungal drugs" RELATED [ChEBI] is_a: CHEBI:86478 ! antibiotic antifungal agent relationship: has_role CHEBI:86327 ! antifungal drug [Term] id: CHEBI:87114 name: antibiotic fungicide namespace: chebi_ontology def: "Any antibiotic antifungal agent that has been used as a fungicide." [] subset: 3_STAR synonym: "antibiotic fungicides" RELATED [ChEBI] is_a: CHEBI:86478 ! antibiotic antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87211 name: fluoroquinolone antibiotic namespace: chebi_ontology def: "An organonitrogen heterocyclic antibiotic containing a quinolone (or quinolone-like) moiety and which have a fluorine atom attached to the central ring system." [] subset: 3_STAR synonym: "fluoroquinolone antibiotics" RELATED [ChEBI] xref: PMID:24947193 "Europe PMC" xref: PMID:25226071 "Europe PMC" xref: PMID:8386356 "Europe PMC" is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:87228 name: sulfonamide antibiotic namespace: chebi_ontology def: "A class of sulfonamides whose members generally have bacteriostatic antibiotic properties." [] subset: 3_STAR synonym: "sulfonamide antibiotics" RELATED [ChEBI] synonym: "sulfonamide antimicrobial agent" RELATED [ChEBI] synonym: "sulfonamide antimicrobial agents" RELATED [ChEBI] synonym: "sulphonamide antibiotic" RELATED [ChEBI] synonym: "sulphonamide antibiotics" RELATED [ChEBI] xref: PMID:24443047 "Europe PMC" xref: PMID:24928456 "Europe PMC" xref: PMID:25064257 "Europe PMC" xref: PMID:25796473 "Europe PMC" xref: PMID:26177406 "Europe PMC" xref: Wikipedia:Sulfonamide_(medicine) is_a: CHEBI:35358 ! sulfonamide relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:87518 name: ADP(2-) namespace: chebi_ontology def: "An organophosphate oxoanion obtained by deprotonation of two of the three diphosphate OH groups of adenosine 5'-diphosphate." [] subset: 3_STAR synonym: "-2" RELATED CHARGE [ChEBI] synonym: "425.014" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "425.18630" RELATED MASS [ChEBI] synonym: "5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine" EXACT IUPAC_NAME [IUPAC] synonym: "C10H13N5O10P2" RELATED FORMULA [ChEBI] synonym: "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1" RELATED InChI [ChEBI] synonym: "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI] synonym: "XTWYTFMLZFPYCI-KQYNXXCUSA-L" RELATED InChIKey [ChEBI] xref: Reaxys:7558006 "Reaxys" is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_acid_of CHEBI:456216 ! ADP(3-) relationship: is_conjugate_base_of CHEBI:16761 ! ADP [Term] id: CHEBI:87818 name: sodium glycochenodeoxycholate namespace: chebi_ontology def: "A bile acid salt that is the sodium salt of glycochenodeoxycholic acid." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "471.296" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "471.606" RELATED MASS [ChEBI] synonym: "AAYACJGHNRIFCT-YRJJIGPTSA-M" RELATED InChIKey [ChEBI] synonym: "C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(NCC([O-])=O)=O)C)[H])[H])C)[H])C.[Na+]" RELATED SMILES [ChEBI] synonym: "C26H42NNaO5" RELATED FORMULA [ChEBI] synonym: "glycochenodeoxycholic acid sodium salt" RELATED [ChEBI] synonym: "InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1" RELATED InChI [ChEBI] synonym: "NSC 681056" RELATED [ChemIDplus] synonym: "sodium [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium glycylchenodeoxycholate" RELATED [ChemIDplus] synonym: "sodium N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate" EXACT IUPAC_NAME [IUPAC] xref: CAS:16564-43-5 "ChemIDplus" xref: DrugBank:DB02123 xref: PMID:23078175 "Europe PMC" xref: PMID:23206209 "Europe PMC" xref: PMID:3742659 "Europe PMC" xref: Reaxys:3847290 "Reaxys" xref: Wikipedia:Glycochenodeoxycholic_acid is_a: CHEBI:36277 ! bile acid salt is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:36252 ! glycochenodeoxycholate relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:88061 name: polyamine namespace: chebi_ontology def: "Any organic amino compound that contains two or more amino groups." [] subset: 3_STAR synonym: "polyamines" RELATED [ChEBI] xref: colombos:POLYAMINE xref: Wikipedia:Polyamine is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:88184 name: metal allergen namespace: chebi_ontology def: "Any metal which causes the onset of an allergic reaction." [] subset: 3_STAR synonym: "allergenic metal" RELATED [ChEBI] synonym: "allergenic metals" RELATED [ChEBI] synonym: "metal allergens" RELATED [ChEBI] is_a: CHEBI:33521 ! metal atom relationship: has_role CHEBI:50904 ! allergen [Term] id: CHEBI:88186 name: metal cation allergen namespace: chebi_ontology def: "Any metal cation which causes the onset of an allergic reaction." [] subset: 3_STAR synonym: "allergenic metal cation" RELATED [ChEBI] synonym: "allergenic metal cations" RELATED [ChEBI] synonym: "allergenic metal ion" RELATED [ChEBI] synonym: "allergenic metal ions" RELATED [ChEBI] synonym: "metal cation allergens" RELATED [ChEBI] synonym: "metal ion allergen" RELATED [ChEBI] synonym: "metal ion allergens" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation relationship: has_role CHEBI:50904 ! allergen [Term] id: CHEBI:88187 name: penicillin allergen namespace: chebi_ontology def: "Any penicillin which causes the onset of an allergic reaction." [] subset: 3_STAR synonym: "allergenic penicillin" RELATED [ChEBI] synonym: "allergenic penicillin compound" RELATED [ChEBI] synonym: "allergenic penicillin compounds" RELATED [ChEBI] synonym: "allergenic penicillins" RELATED [ChEBI] synonym: "penicillin allergens" RELATED [ChEBI] is_a: CHEBI:17334 ! penicillin relationship: has_role CHEBI:50904 ! allergen [Term] id: CHEBI:88188 name: drug allergen namespace: chebi_ontology def: "Any drug which causes the onset of an allergic reaction." [] subset: 3_STAR synonym: "allergenic drug" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:50904 ! allergen [Term] id: CHEBI:88212 name: lead(II) chloride namespace: chebi_ontology def: "An inorganic chloride consisting of two chlorine atoms covalently bound to a central lead atom." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "277.914" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "278.123" RELATED MASS [ChEBI] synonym: "[Pb](Cl)Cl" RELATED SMILES [ChEBI] synonym: "Cl2Pb" RELATED FORMULA [ChEBI] synonym: "dichloro-lambda(2)-plumbane" EXACT IUPAC_NAME [IUPAC] synonym: "HWSZZLVAJGOAAY-UHFFFAOYSA-L" RELATED InChIKey [ChEBI] synonym: "InChI=1S/2ClH.Pb/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI] synonym: "lead chloride" RELATED [ChEBI] synonym: "Lead dichloride" RELATED [ChemIDplus] synonym: "Lead(2+) chloride" RELATED [ChemIDplus] synonym: "lead(2+) dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "PbCl2" RELATED [ChEBI] synonym: "Plumbous chloride" RELATED [ChemIDplus] xref: CAS:7758-95-4 "NIST Chemistry WebBook" xref: PMID:11345460 "Europe PMC" xref: Reaxys:3902843 "Reaxys" xref: Reaxys:8128172 "Reaxys" xref: Wikipedia:Lead(II)_chloride is_a: CHEBI:36093 ! inorganic chloride is_a: CHEBI:37185 ! lead coordination entity [Term] id: CHEBI:88217 name: N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine namespace: chebi_ontology def: "An N-substituted diamine that is ethylenediamine in which the four amino hydrogens are replaced by 2-pyridylmethyl groups." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "424.238" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "424.542" RELATED MASS [ChEBI] synonym: "C(CN(CC1=NC=CC=C1)CC2=NC=CC=C2)N(CC3=NC=CC=C3)CC4=NC=CC=C4" RELATED SMILES [ChEBI] synonym: "C26H28N6" RELATED FORMULA [ChEBI] synonym: "CVRXLMUYFMERMJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C26H28N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-16H,17-22H2" RELATED InChI [ChEBI] synonym: "N(1),N(1),N(2),N(2)-tetrakis[(pyridin-2-yl)methyl]ethane-1,2-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "TPEN" RELATED [ChemIDplus] xref: CAS:16858-02-9 "ChemIDplus" xref: colombos:TPEN xref: LINCS:LSM-19976 xref: PMID:22225878 "Europe PMC" xref: PMID:25667569 "Europe PMC" xref: PMID:25813624 "Europe PMC" xref: PMID:25973665 "Europe PMC" xref: PMID:26004891 "Europe PMC" xref: PMID:26143360 "Europe PMC" xref: PMID:26190227 "Europe PMC" xref: Reaxys:4211982 "Reaxys" is_a: CHEBI:26421 ! pyridines is_a: CHEBI:50441 ! N-substituted diamine is_a: CHEBI:50996 ! tertiary amino compound relationship: has_functional_parent CHEBI:30347 ! ethylenediamine relationship: has_role CHEBI:38161 ! chelator relationship: has_role CHEBI:68495 ! apoptosis inducer [Term] id: CHEBI:90318 name: EC 6.4.1.1 (pyruvate carboxylase) inhibitor namespace: chebi_ontology def: "An EC 6.4.1.* (carboxylase) inhibitor that interferes with the action of pyruvate carboxylase (EC 6.4.1.1)." [] subset: 3_STAR synonym: "EC 6.4.1.1 (pyruvate carboxylase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.1 inhibitor" RELATED [ChEBI] synonym: "EC 6.4.1.1 inhibitors" RELATED [ChEBI] synonym: "pyruvate carboxylase (EC 6.4.1.1) inhibitor" RELATED [ChEBI] synonym: "pyruvate carboxylase (EC 6.4.1.1) inhibitors" RELATED [ChEBI] synonym: "pyruvate carboxylase inhibitor" RELATED [ChEBI] synonym: "pyruvate carboxylase inhibitors" RELATED [ChEBI] synonym: "pyruvate:carbon-dioxide ligase (ADP-forming) inhibitor" RELATED [ChEBI] synonym: "pyruvate:carbon-dioxide ligase (ADP-forming) inhibitors" RELATED [ChEBI] synonym: "pyruvic carboxylase inhibitor" RELATED [ChEBI] synonym: "pyruvic carboxylase inhibitors" RELATED [ChEBI] xref: Wikipedia:Pyruvate_carboxylase is_a: CHEBI:76824 ! EC 6.4.1.* (carboxylase) inhibitor [Term] id: CHEBI:90333 name: (E)-3-(indol-2-yl)acrylic acid namespace: chebi_ontology def: "An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-2-yl group." [] subset: 3_STAR synonym: "(2E)-3-(1H-indol-2-yl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "187.063" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "187.195" RELATED MASS [ChEBI] synonym: "2-indoleacrylic acid" RELATED [ChEBI] synonym: "2-indolylacrylic acid" RELATED [ChEBI] synonym: "3-(2-indolyl)acrylic acid" RELATED [ChEBI] synonym: "C11H9NO2" RELATED FORMULA [ChEBI] synonym: "C=1C=CC2=C(C1)C=C(N2)/C=C/C(=O)O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C11H9NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-7,12H,(H,13,14)/b6-5+" RELATED InChI [ChEBI] synonym: "indole-2-acrylic acid" RELATED [ChEBI] synonym: "indoleacrylic acid" RELATED [ChEBI] synonym: "SXOUIMVOMIGLHO-AATRIKPKSA-N" RELATED InChIKey [ChEBI] synonym: "trans-2-indoleacrylic acid" RELATED [ChEBI] xref: HMDB:HMDB00734 xref: Reaxys:4397595 "Reaxys" is_a: CHEBI:24828 ! indoles is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid relationship: has_functional_parent CHEBI:18308 ! acrylic acid [Term] id: CHEBI:90710 name: receptor modulator namespace: chebi_ontology def: "A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors." [] subset: 3_STAR synonym: "receptor modulators" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:90749 name: antidote to cyanide poisoning namespace: chebi_ontology def: "A role borne by a molecule that acts to counteract or neutralize the deleterious effects of cyanide." [] subset: 3_STAR is_a: CHEBI:50247 ! antidote [Term] id: CHEBI:91007 name: aromatic carboxylate namespace: chebi_ontology def: "A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3." [] subset: 3_STAR synonym: "*C([O-])=O" RELATED SMILES [ChEBI] synonym: "-1" RELATED CHARGE [ChEBI] synonym: "43.990" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "44.010" RELATED MASS [ChEBI] synonym: "an aromatic carboxylate" RELATED [UniProt] synonym: "CO2R" RELATED FORMULA [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:33859 ! aromatic carboxylic acid [Term] id: CHEBI:91139 name: elastin-laminin receptor agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates elastin-laminin receptors." [] subset: 3_STAR synonym: "elastin-laminin receptor agonists" RELATED [ChEBI] synonym: "ELR agonist" RELATED [ChEBI] synonym: "ELR agonists" RELATED [ChEBI] xref: PMID:9856283 "Europe PMC" is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:9177 name: sodium deoxycholate namespace: chebi_ontology subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "414.275" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "414.275" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "414.55383" RELATED MASS [ChEBI] synonym: "[Na+].[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2" RELATED SMILES [ChEBI] synonym: "C24H39NaO4" RELATED FORMULA [ChEBI] synonym: "C24H39O4.Na" RELATED FORMULA [KEGG_COMPOUND] synonym: "deoxycholate sodium" RELATED [ChemIDplus] synonym: "deoxycholic acid sodium salt" RELATED [ChemIDplus] synonym: "desoxycholate sodium" RELATED [ChemIDplus] synonym: "FHHPUSMSKHSNKW-SMOYURAASA-M" RELATED InChIKey [ChEBI] synonym: "InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1" RELATED InChI [ChEBI] synonym: "sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate" EXACT IUPAC_NAME [IUPAC] synonym: "sodium 7-deoxycholate" RELATED [ChemIDplus] synonym: "Sodium deoxycholate" EXACT [KEGG_COMPOUND] synonym: "sodium deoxycholate" EXACT [UniProt] synonym: "sodium desoxycholate" RELATED [ChemIDplus] xref: Beilstein:3643164 "Beilstein" xref: CAS:302-95-4 "ChemIDplus" xref: Gmelin:1775786 "Gmelin" xref: KEGG:C11171 is_a: CHEBI:36277 ! bile acid salt relationship: has_part CHEBI:23614 ! deoxycholate [Term] id: CHEBI:9180 name: Sodium salicylate namespace: chebi_ontology subset: 2_STAR synonym: "0" RELATED CHARGE [KEGG_COMPOUND] synonym: "160.014" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "160.103" RELATED MASS [KEGG_COMPOUND] synonym: "[Na+].Oc1ccccc1C([O-])=O" RELATED SMILES [ChEBI] synonym: "ABBQHOQBGMUPJH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI] synonym: "C7H5O3.Na" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1" RELATED InChI [ChEBI] synonym: "Sodium salicylate" EXACT [KEGG_COMPOUND] xref: CAS:54-21-7 "KEGG COMPOUND" xref: KEGG:C07587 xref: KEGG:D00566 is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:9215 name: spectinomycin namespace: chebi_ontology alt_id: CHEBI:45551 def: "An organic heterotricyclic antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis." [] subset: 3_STAR synonym: "(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "0" RELATED CHARGE [ChEBI] synonym: "332.158" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "332.34960" RELATED MASS [ChEBI] synonym: "Antibiotic 2233wp" RELATED [ChemIDplus] synonym: "C14H24N2O7" RELATED FORMULA [ChEBI] synonym: "CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O" RELATED SMILES [ChEBI] synonym: "espectinomicina" RELATED INN [DrugBank] synonym: "InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1" RELATED InChI [ChEBI] synonym: "spectinomycin" RELATED INN [KEGG_DRUG] synonym: "spectinomycine" RELATED INN [DrugBank] synonym: "spectinomycinum" RELATED INN [DrugBank] synonym: "UNFWWIHTNXNPBV-WXKVUWSESA-N" RELATED InChIKey [ChEBI] xref: CAS:1695-77-8 "ChemIDplus" xref: colombos:SPECTINOMYCIN xref: colombos:SPECTINOMYCIN\:+UNKNOWN xref: Drug_Central:2468 "DrugCentral" xref: DrugBank:DB00919 xref: HMDB:HMDB15055 xref: KEGG:C02078 xref: KEGG:D08526 xref: LINCS:LSM-5298 xref: Patent:US4203903 xref: Patent:WO2005041984 xref: PDBeChem:SCM xref: PMID:23183436 "Europe PMC" xref: PMID:23847609 "Europe PMC" xref: PMID:24020122 "Europe PMC" xref: PMID:24402501 "Europe PMC" xref: PMID:24503209 "Europe PMC" xref: Reaxys:2171701 "Reaxys" xref: Wikipedia:Spectinomycin is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:59770 ! cyclic acetal is_a: CHEBI:59780 ! cyclic hemiketal relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_base_of CHEBI:77315 ! spectinomycin(2+) [Term] id: CHEBI:9473 name: tetrachlorosalicylanilide namespace: chebi_ontology def: "A salicylanilide derivative where the hydrogens at positions 2, 3, 4 and 5 are substituted by chlorine." [] subset: 3_STAR synonym: "0" RELATED CHARGE [ChEBI] synonym: "2,3,4,5-tetrachloro-6-hydroxy-N-phenylbenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "348.923" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "351.01200" RELATED MASS [ChEBI] synonym: "BDOBMVIEWHZYDL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI] synonym: "C13H7Cl4NO2" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C13H7Cl4NO2/c14-8-7(12(19)11(17)10(16)9(8)15)13(20)18-6-4-2-1-3-5-6/h1-5,19H,(H,18,20)" RELATED InChI [ChEBI] synonym: "Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1" RELATED SMILES [ChEBI] synonym: "Tetrachlorosalicylanilide" EXACT [KEGG_COMPOUND] xref: CAS:7426-07-5 "ChemIDplus" xref: KEGG:C11274 xref: PMID:1148111 "Europe PMC" xref: PMID:13926142 "Europe PMC" xref: PMID:14161221 "Europe PMC" xref: PMID:2679409 "Europe PMC" xref: PMID:3432140 "Europe PMC" xref: PMID:4870835 "Europe PMC" xref: PMID:5708356 "Europe PMC" xref: PMID:6049391 "Europe PMC" xref: PMID:7089070 "Europe PMC" is_a: CHEBI:53468 ! salicylanilides [Term] id: CHEBI:9907 name: ursodeoxycholic acid namespace: chebi_ontology def: "A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones." [] subset: 3_STAR synonym: "(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "392.293" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND] synonym: "392.57200" RELATED MASS [ChEBI] synonym: "3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid" RELATED [KEGG_COMPOUND] synonym: "3alpha,7beta-dihydroxy-5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](O)C2)[C@H](C)CCC(O)=O" RELATED SMILES [ChEBI] synonym: "Actigall" RELATED [ChemIDplus] synonym: "C24H40O4" RELATED FORMULA [KEGG_COMPOUND] synonym: "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1" RELATED InChI [ChEBI] synonym: "RUDATBOHQWOJDD-UZVSRGJWSA-N" RELATED InChIKey [ChEBI] synonym: "Ursodeoxycholate" RELATED [KEGG_COMPOUND] synonym: "Ursodeoxycholic acid" EXACT [KEGG_COMPOUND] synonym: "Ursodiol" RELATED [KEGG_COMPOUND] xref: Beilstein:3219888 "ChemIDplus" xref: CAS:128-13-2 "KEGG COMPOUND" xref: Drug_Central:2797 "DrugCentral" xref: DrugBank:DB01586 xref: HMDB:HMDB00946 xref: KEGG:C07880 xref: KEGG:D00734 xref: LINCS:LSM-6555 xref: LIPID_MAPS_instance:LMST04010033 "LIPID MAPS" xref: PMID:14989050 "Europe PMC" xref: PMID:17489439 "Europe PMC" xref: PMID:24816727 "Europe PMC" xref: Reaxys:3219888 "Reaxys" xref: Wikipedia:Ursodiol is_a: CHEBI:131620 ! C24-steroid is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid is_a: CHEBI:3098 ! bile acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:78604 ! ursodeoxycholate [Term] id: CHEBI:9908 name: ursolic acid namespace: chebi_ontology def: "A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by a beta-hydroxy group at position 3." [] subset: 3_STAR synonym: "(3beta)-3-hydroxyurs-12-en-28-oic acid" RELATED [ChemIDplus] synonym: "0" RELATED CHARGE [ChEBI] synonym: "3beta-hydroxyurs-12-en-28-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "456.360" RELATED MONOISOTOPIC_MASS [ChEBI] synonym: "456.70030" RELATED MASS [ChEBI] synonym: "C30H48O3" RELATED FORMULA [ChEBI] synonym: "C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O" RELATED SMILES [ChEBI] synonym: "InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1" RELATED InChI [ChEBI] synonym: "malol" RELATED [ChemIDplus] synonym: "prunol" RELATED [ChemIDplus] synonym: "Ursolic acid" EXACT [KEGG_COMPOUND] synonym: "urson" RELATED [ChemIDplus] synonym: "WCGUUGGRBIKTOS-GPOJBZKASA-N" RELATED InChIKey [ChEBI] xref: Beilstein:2228563 "Beilstein" xref: CAS:77-52-1 "KEGG COMPOUND" xref: KEGG:C08988 xref: KNApSAcK:C00003558 xref: PMID:17516089 "Europe PMC" xref: Reaxys:2228563 "Reaxys" is_a: CHEBI:25872 ! pentacyclic triterpenoid is_a: CHEBI:35868 ! hydroxy monocarboxylic acid relationship: has_parent_hydride CHEBI:35711 ! ursane relationship: has_role CHEBI:76924 ! plant metabolite [Term] id: CL:0000066 name: epithelial cell namespace: cell def: "A cell that is usually found in a two-dimensional sheet with a free surface. The cell has a cytoskeleton that allows for tight cell to cell contact and for cell polarity where apical part is directed towards the lumen and the basal part to the basal lamina." [FB:ma, GOC:tfm, MESH:A11.436] synonym: "epitheliocyte" EXACT [] xref: BTO:0000414 xref: CALOHA:TS-2026 xref: CARO:0000077 xref: FBbt:00000124 xref: FMA:66768 xref: WBbt:0003672 is_a: UBERON:0000479 ! tissue [Term] id: CLO:0003707 name: HEp-2 cell xref: colombos:HEp-2 xref: colombos:HEp-2\:+1 is_a: CL:0000066 ! epithelial cell property_value: IAO:0000118 "HEp-2" xsd:string property_value: seeAlso "ATCC: CCL-23" xsd:string [Term] id: GO:0008150 name: biological_process namespace: biological_process alt_id: GO:0000004 alt_id: GO:0007582 def: "Any process specifically pertinent to the functioning of integrated living units: cells, tissues, organs, and organisms. A process is a collection of molecular events with a defined beginning and end." [] comment: Note that, in addition to forming the root of the biological process ontology, this term is recommended for use for the annotation of gene products whose biological process is unknown. Note that when this term is used for annotation, it indicates that no information was available about the biological process of the gene product annotated as of the date the annotation was made; the evidence code ND, no data, is used to indicate this. subset: goslim_aspergillus subset: goslim_candida subset: goslim_chembl subset: goslim_generic subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant subset: goslim_pombe subset: goslim_yeast subset: gosubset_prok synonym: "biological process" EXACT [] synonym: "physiological process" EXACT [] xref: Wikipedia:Biological_process is_a: BFO:0000015 ! process property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl [Term] id: GO:0008152 name: metabolic process namespace: biological_process def: "The chemical reactions and pathways, including anabolism and catabolism, by which living organisms transform chemical substances. Metabolic processes typically transform small molecules, but also include macromolecular processes such as DNA repair and replication, and protein synthesis and degradation." [] comment: Note that metabolic processes do not include single functions or processes such as protein-protein interactions, protein-nucleic acids, nor receptor-ligand interactions. subset: gocheck_do_not_manually_annotate subset: goslim_chembl subset: goslim_pir subset: goslim_plant subset: gosubset_prok synonym: "metabolic process resulting in cell growth" NARROW [] synonym: "metabolism" EXACT [] synonym: "metabolism resulting in cell growth" NARROW [] xref: Wikipedia:Metabolism is_a: GO:0008150 ! biological_process property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl [Term] id: GO:0044699 name: single-organism process namespace: biological_process def: "A biological process that involves only one organism." [] synonym: "single organism process" EXACT [] is_a: GO:0008150 ! biological_process property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl created_by: janelomax creation_date: 2012-09-19T15:05:24Z [Term] id: GO:0044710 name: single-organism metabolic process namespace: biological_process def: "A metabolic process - chemical reactions and pathways, including anabolism and catabolism, by which living organisms transform chemical substances - which involves a single organism." [] is_a: GO:0008152 ! metabolic process is_a: GO:0044699 ! single-organism process property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl created_by: janelomax creation_date: 2012-10-17T15:46:40Z [Term] id: MCO:00000000 name: mco [Term] id: MCO:0000013 name: equipment and supplies is_a: BFO:0000030 ! object [Term] id: MCO:0000014 name: natural medium def: "a liquid or solid substance or entity that naturally exists, where microorganims are able to grow." [] is_a: OBI:0000079 ! culture medium [Term] id: MCO:0000015 name: artificial medium def: "a culture medium made specifically for the grow, storage, isolation, identification or transportation of microorganisms." [] is_a: OBI:0000079 ! culture medium [Term] id: MCO:0000016 name: poor medium def: "minimal salts plus glycerol and fumarate" [] is_a: MICRO:0000067 ! microbiological culture medium property_value: IAO:0000119 "PMID: 9382703" xsd:string [Term] id: MCO:0000017 name: conditioned culture medium is_a: MICRO:0000067 ! microbiological culture medium property_value: IAO:0000119 http://purl.bioontology.org/ontology/MESH/D017077 xsd:string property_value: MCO:0000190 "conditioned medium" xsd:string property_value: MCO:0000851 "Culture media containing biologically active components obtained from previously cultured cells or tissues that have released into the media substances affecting certain cell functions (e.g., growth, lysis)." xsd:string [Term] id: MCO:0000018 name: LE392 conditioned medium def: "Conditioned medium containing biologically active components obtained from E. coli strain LE392" [] is_a: MCO:0000017 ! conditioned culture medium property_value: IAO:0000119 "PMID: 8552633" xsd:string [Term] id: MCO:0000020 name: N-C- medium is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000866 NCBITaxon:83333 ! treatment Escherichia coli K-12 property_value: IAO:0000119 "PMID: 201606" xsd:string property_value: MCO:0000094 "K2S04, 1.0g\nK2HP04·3H20, 17.7g\nKH2PO4, 4.7g\nMgSO4·7H20, 0.1g\nper liter of distiled water" xsd:string property_value: MCO:0000118 "PMID: 201606" xsd:string property_value: MCO:0000851 "artificial medium without a source of carbon or nitrogen" xsd:string [Term] id: MCO:0000021 name: M56 medium is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000866 NCBITaxon:83333 ! treatment Escherichia coli K-12 property_value: MCO:0000094 "KH2PO4, 2.7 g\nNa2HPO4, 8.2 g\nCaCl2, 50 μg\n(NH4)2SO4, 1.0 g\nFeSO4 7H2O, 25 μl of a 1.0% solution \nMgSO4-7H2O, 0.1 g\nglucose, 4.0 g\nper liter" xsd:string property_value: MCO:0000118 "PMCID: PMC393752" xsd:string property_value: MCO:0000190 "M56" xsd:string [Term] id: MCO:0000023 name: minimal essential medium is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000866 NCBITaxon:83333 ! treatment Escherichia coli K-12 property_value: IAO:0000119 "PMID: 19293938\nhttp://www.sigmaaldrich.com/life-science/cell-culture/classical-media-salts/mem-media.html" xsd:string property_value: MCO:0000190 "MEM" xsd:string property_value: MCO:0000851 "Minimum Essential Medium (MEM), developed by Harry Eagle, is one of the most widely used of all synthetic cell culture media." xsd:string [Term] id: MCO:0000024 name: MOPS minimal medium is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000866 NCBITaxon:83333 ! treatment Escherichia coli K-12 property_value: MCO:0000094 "β-D-glucopyranose 20 g/l\n3-(N-morpholino)propanesulfonate 40 mM\nammonium chloride 9.5 mM\nammonium heptamolybdate 3 nM\nborate 400 nM\ncalcium chloride 0.5 µM \ncobalt chloride 30.0 nM\ncopper sulfate 10 nM\ndipotassium phosphate 1.32 mM\niron sulfate 10 µM\nmanganese chloride 80 nM\nMgCl2 528 µM\npotassium sulfate 276 µM\nsodium chloride 50 mM\ntricine 4 mM pH Buffer\nzinc sulfate 10 nM" xsd:string property_value: MCO:0000190 "morpholinepropanesulfonic acid (MOPS) minimal medium" xsd:string property_value: MCO:0000382 "The goals for this medium were to find a convenient and well defined composition that allowed varying all of the elements independently to facilitate isotopic labelling. This required using much less phosphate than in older media, which served roles of pH buffering and chelation of metals like Fe2+. For buffering, MOPS was used instead, with some Tricine added to help chelate Fe2+.\n\nE. coli can use MOPS as a sulfur source if not other sulfur source is added. However, sulfate easily outcompetes MOPS if both are present.\n\nTo increase ionic strength and thus optimize the growth rate, NaCl was added. However, it is probably the case that KCl would work just as well, which would allow completely eliminating Na+ from this medium." xsd:string [Term] id: MCO:0000027 name: T-broth is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000867 NCBITaxon:83333 ! experimental process Escherichia coli K-12 property_value: MCO:0000094 "tryptone, 1% \nbiotin, 25 nM" xsd:string [Term] id: MCO:0000028 name: TGYEP is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000867 NCBITaxon:83333 ! experimental process Escherichia coli K-12 property_value: MCO:0000094 "glucose-nutrient agar plates \ncontaining per litre: \nglucose, 5 g\ntryptone, 10 g\nyeast extract, 5 g\nK2HPO4, 12 g\nKH2PO4, 3 g\nagar, 15 g" xsd:string [Term] id: MCO:0000030 name: LB medium, Lennox is_a: MICRO:0000562 ! LB medium property_value: MCO:0000094 "10g/L tryptone\n5g/L yeast extract\n5g/L NaCl" xsd:string [Term] id: MCO:0000031 name: LB medium, Luria is_a: MICRO:0000562 ! LB medium property_value: MCO:0000094 "10g/L tryptone\n5g/L yeast extract\n0.5g/L NaCl" xsd:string [Term] id: MCO:0000032 name: LB medium, Miller is_a: MICRO:0000562 ! LB medium property_value: MCO:0000094 "10g/L tryptone\n5g/L yeast extract\n10g/L NaCl" xsd:string [Term] id: MCO:0000033 name: penassay broth xref: colombos:MEDIUM.PENASSAY is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000867 NCBITaxon:83333 ! experimental process Escherichia coli K-12 property_value: IAO:0000119 http://openwetware.org/wiki/Rao:Penassay xsd:string property_value: MCO:0000094 "Per 1L of H2O:\nPeptone: 10 g\nYeast Extract: 1.5 g\nBeef Extract: 1.5 g\nSodium Chloride: 3.5 g\nGlucose: 1.0 g\nPotassium phosphate, dibasic: 3.68 g\nPotassium phosphate, monobasic: 1.32 g\npH to 7" xsd:string property_value: MCO:0000851 "Penassay broth is an artificial medium typically used in the growth of Bacillus subtilis and related organisms." xsd:string [Term] id: MCO:0000034 name: L broth is_a: MCO:0000030 ! LB medium, Lennox disjoint_from: MCO:0000035 ! L agar property_value: MCO:0000094 "tryptone 10 g\nyeast extract 5 g\nNaCl 5 g\nglucose 1 g\nper liter of water.\nThe pH is adjusted by adding approximately 1.7 ml of NaOH prior to autoclaving." xsd:string property_value: MCO:0000190 "L-broth" xsd:string property_value: MCO:0000851 "Liquid LB medium, Lennox supplemented with glucose" xsd:string [Term] id: MCO:0000035 name: L agar is_a: MCO:0000030 ! LB medium, Lennox property_value: MCO:0000094 "tryptone 10 g\nyeast extract 5 g\nNaCl 5 g\nglucose 1 g\nagar 1.5 %\nper liter of water. \nsupplemented with CaCl2\nThe pH is adjusted by adding approximately 1.7 ml of NaOH prior to autoclaving" xsd:string [Term] id: MCO:0000036 name: LB broth is_a: MCO:0000032 ! LB medium, Miller disjoint_from: MCO:0000037 ! Luria broth property_value: MCO:0000094 "tryptone 10 g\nyeast extract 5 g \nNaCl 10 g\nglucose 1 g\nper liter of water. \nThe pH is adjusted to 7.0 by adding approximately 1.7 ml of N NaOH." xsd:string property_value: MCO:0000851 "Liquid LB medium, Miller supplemented with glucose" xsd:string [Term] id: MCO:0000037 name: Luria broth is_a: MCO:0000032 ! LB medium, Miller property_value: MCO:0000094 "tryptone 10 g\nyeast extract 5 g\nNaCl 10 g\n950 ml of deionized H20" xsd:string property_value: MCO:0000851 "Liquid LB medium, Miller" xsd:string [Term] id: MCO:0000041 name: overexpression mutant xref: colombos:GraL.OVEREXPRESSION is_a: NCIT:C25360 ! mutant property_value: MCO:0000851 "a mutant in which a gene ore genes are expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000042 name: knockout mutant is_a: NCIT:C25360 ! mutant property_value: MCO:0000190 "gene deletion" xsd:string property_value: MCO:0000851 "a mutant in which the function of a target gene has been disrupted within its normal biological context. Utilized to examine the involvement of a gene in a complex biological process." xsd:string [Term] id: MCO:0000043 name: insertion mutant is_a: NCIT:C25360 ! mutant property_value: IAO:0000119 "Adapted from:\nhttp://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C19295" xsd:string property_value: MCO:0000190 "Insertion" xsd:string property_value: MCO:0000190 "Insertion Mutation Abnormality" xsd:string property_value: MCO:0000190 "Mutation, Insertion" xsd:string property_value: MCO:0000851 "a mutant genotype in which one or more extra nucleotides have been added into the DNA. Insertions may be reversible, particulary if caused by transposable elements. They may alter the reading frame of a gene, or may cause large scale additions of genomic DNA." xsd:string [Term] id: MCO:0000044 name: lysogenic mutant is_a: MCO:0000043 ! insertion mutant disjoint_from: MCO:0000045 ! transposable element mutant property_value: IAO:0000119 "an insertion mutant in which a phage is inserted in the chromosome" xsd:string property_value: MCO:0000190 "infection by phage" xsd:string [Term] id: MCO:0000045 name: transposable element mutant is_a: MCO:0000043 ! insertion mutant property_value: IAO:0000119 "adapted from \nISBN 0 87893 608 4" xsd:string property_value: IAO:0000119 "an insertion mutant in which a sequence has been inserted in the chromosome by means of a transposable element. Transposable elements include insertion sequences (IS), transposons (Tn), invertible elements, and the prophage of a particular virus called Mu." xsd:string [Term] id: MCO:0000046 name: knockin mutant is_a: MCO:0000043 ! insertion mutant property_value: IAO:0000119 "adapted from:\nhttp://www.bioassayontology.org/bao#BAO_0002432" xsd:string property_value: MCO:0000851 "an insertion mutant in which a protein coding cDNA sequence has been inserted at a particular locus in an organism's chromosome. \n\nThe difference between knock-in technology and transgenic technology is that a knock-in involves a gene inserted into a specific locus, and is a \"targeted\" insertion." xsd:string [Term] id: MCO:0000047 name: λ(soxR) is_a: MCO:0000044 ! lysogenic mutant disjoint_from: MCO:0000048 ! λ(truncated soxR) property_value: MCO:0000851 "a lysogenic mutant that carries phage λ containing soxR gene" xsd:string [Term] id: MCO:0000048 name: λ(truncated soxR) is_a: MCO:0000044 ! lysogenic mutant property_value: MCO:0000851 "a lysogenic mutant that carries phage λ containing truncated version of soxR gene" xsd:string [Term] id: MCO:0000049 name: Φ(soxR) is_a: MCO:0000044 ! lysogenic mutant property_value: MCO:0000851 "a lysogenic mutant that carries phage Φ containing soxR gene" xsd:string [Term] id: MCO:0000050 name: knockdown mutant is_a: NCIT:C25360 ! mutant property_value: IAO:0000119 "adapted from:\nhttp://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C74927" xsd:string property_value: MCO:0000851 "a mutant in which the expression of a gene has been reduced without eliminating it entirely. The reduced expression may be permanent or via a transient mechanism." xsd:string [Term] id: MCO:0000051 name: gene variant mutant def: "a mutant genotype in which one or more genes can have modifications (subtitutions, indels, partial truncations, etc), but they conserve functionality" [] is_a: NCIT:C25360 ! mutant [Term] id: MCO:0000052 name: plasmid mutant is_a: NCIT:C25360 ! mutant property_value: MCO:0000851 "a mutant in which a foreign DNA sequence is introduced to cell in an extrachromosomal unit of replication" xsd:string [Term] id: MCO:0000053 name: multicopy plasmid mutant is_a: MCO:0000052 ! plasmid mutant property_value: MCO:0000851 "a plasmid mutant whose plasmid is such that is capable of producing multiple copies in a cell" xsd:string [Term] id: MCO:0000054 name: multicopy plasmid backbone mutant is_a: MCO:0000053 ! multicopy plasmid mutant disjoint_from: MCO:0000055 ! multicopy harbored plasmid mutant property_value: MCO:0000851 "a multicopy plasmid mutant whose plasmid is empty or harboring a foreign DNA sequence. These are usually used in control experiments." xsd:string [Term] id: MCO:0000055 name: multicopy harbored plasmid mutant is_a: MCO:0000053 ! multicopy plasmid mutant property_value: MCO:0000851 "a multicopy plasmid mutant whose plasmid harbors the DNA sequence under study" xsd:string [Term] id: MCO:0000056 name: unicopy plasmid mutant comment: Que es integrativa o monocopia o inducible is_a: MCO:0000052 ! plasmid mutant property_value: MCO:0000851 "a plasmid mutant whose plasmid is such that is capable of producing a single copy in a cell" xsd:string [Term] id: MCO:0000057 name: unicopy plasmid backbone mutant is_a: MCO:0000056 ! unicopy plasmid mutant disjoint_from: MCO:0000058 ! unicopy harbored plasmid mutant property_value: MCO:0000851 "a unicopy plasmid mutant whose plasmid is empty or not harboring a foreign DNA sequence. These are usually used in control experiments." xsd:string [Term] id: MCO:0000058 name: unicopy harbored plasmid mutant is_a: MCO:0000056 ! unicopy plasmid mutant property_value: MCO:0000851 "a unicopy plasmid mutant whose plasmid harbors the DNA sequence under study" xsd:string [Term] id: MCO:0000059 name: OD600 def: "an optical density that specifies the amount of light of 600 nm of wavelenght the bearer is able to transmit" [] xref: colombos:OD600 is_a: MCO:0000077 ! optical density [Term] id: MCO:0000060 name: OD600 of 0.3 xref: colombos:OD600\:0.3 xref: colombos:OD600\:0.5-0.2 xref: colombos:OD600\:0.6-0.3 is_a: MCO:0000059 ! OD600 disjoint_from: MCO:0000061 ! OD600 from 0.4 to 0.5 disjoint_from: MCO:0000061 ! OD600 from 0.4 to 0.5 disjoint_from: MCO:0000061 ! OD600 from 0.4 to 0.5 property_value: MCO:0000190 "OD600 0.3" xsd:string [Term] id: MCO:0000061 name: OD600 from 0.4 to 0.5 is_a: MCO:0000059 ! OD600 property_value: MCO:0000190 "OD600 0.4 to 0.5" xsd:string [Term] id: MCO:0000062 name: OD600 of 0.25 xref: colombos:OD600\:0.25 is_a: MCO:0000059 ! OD600 property_value: MCO:0000190 "OD600 0.25" xsd:string [Term] id: MCO:0000063 name: OD600 of 1.5 xref: colombos:OD600\:0.3+1.2 xref: colombos:OD600\:1.5 is_a: MCO:0000059 ! OD600 property_value: MCO:0000190 "OD600 1.5" xsd:string [Term] id: MCO:0000064 name: OD600 of 0.5 xref: colombos:OD600\:0.5 is_a: MCO:0000059 ! OD600 property_value: MCO:0000190 "OD600 0.5" xsd:string [Term] id: MCO:0000065 name: OD600 below 0.7 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000066 name: OD600 of 0.4 xref: colombos:OD600\:0.4 xref: colombos:OD600\:0.5-0.1 is_a: MCO:0000059 ! OD600 property_value: MCO:0000190 "OD600 0.4" xsd:string [Term] id: MCO:0000067 name: OD600 from 0.4 to 0.6 is_a: MCO:0000059 ! OD600 property_value: MCO:0000190 "OD600 0.4 to 0.6" xsd:string [Term] id: MCO:0000068 name: OD600 of 0.65 is_a: MCO:0000059 ! OD600 property_value: MCO:0000190 "OD600 0.65" xsd:string [Term] id: MCO:0000069 name: OD650 def: "an optical density that specifies the amount of light of 650 nm of wavelenght the bearer is able to transmit" [] is_a: MCO:0000077 ! optical density [Term] id: MCO:0000070 name: greA overexpression mutant xref: colombos:greA_b3181.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant disjoint_from: MCO:0000191 ! nlpE overexpression mutant property_value: MCO:0000190 "GreA overproduction" xsd:string property_value: MCO:0000851 "an overexpression mutant in which greA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000071 name: mlc knockout mutant is_a: MCO:0000042 ! knockout mutant disjoint_from: MCO:0000082 ! nanR knockout mutant disjoint_from: MCO:0000082 ! nanR knockout mutant disjoint_from: MCO:0000082 ! nanR knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of mlc gene has been disrupted" xsd:string [Term] id: MCO:0000072 name: ethyl acetate extract of LB is_a: CHEBI:60004 ! mixture [Term] id: MCO:0000073 name: ethyl acetate extract of conditioned medium is_a: CHEBI:60004 ! mixture [Term] id: MCO:0000074 name: multicopy plasmid pAMC35 (dps) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000075 name: multicopy plasmid pRGM258 (marRAB) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000076 name: plasmid pCX16 (sdiA) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000077 name: optical density def: "A physical quality that inheres in a bearer by virtue of the amount of light that the bearer of the quality is able to transmit" [] is_a: PATO:0001300 ! optical quality property_value: MCO:0000190 "O.D." xsd:string property_value: MCO:0000190 "OD" xsd:string [Term] id: MCO:0000078 name: aeration def: "a physical quality that inheres in a bearer by virtue of the amount of oxygen or air the bearer contains" [] is_a: PATO:0001018 ! physical quality [Term] id: MCO:0000079 name: 10 to 40 MPa is_a: PATO:0001025 ! pressure [Term] id: MCO:0000080 name: 0.1 MPa is_a: PATO:0001025 ! pressure [Term] id: MCO:0000081 name: vitamin assay casamino acids is_a: CHEBI:60004 ! mixture property_value: IAO:0000119 https://www.mgscientific.com/products/vitamin-assay-casamino-acids-difcoandreg-dehydrated-culture-media-and-ingredients/ xsd:string property_value: MCO:0000851 "Acid digest of casein specifically treated to remove certain vitamins." xsd:string [Term] id: MCO:0000082 name: nanR knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000190 "ama knockout mutant" xsd:string property_value: MCO:0000190 "ama-7 knockout mutant" xsd:string property_value: MCO:0000851 "a knockout mutant in which the function of nanR gene has been disrupted" xsd:string [Term] id: MCO:0000083 name: high cell density is_a: NCIT:C120538 ! cell density [Term] id: MCO:0000084 name: low cell density is_a: NCIT:C120538 ! cell density [Term] id: MCO:0000085 name: planktonic growth xref: colombos:GROWTH.PLANKTONIC is_a: OMP:0007167 ! population growth phenotype property_value: MCO:0000190 "planktonic cells" xsd:string [Term] id: MCO:0000086 name: mini-Tn5 transposon is_a: MCO:0000385 ! transposon mutant [Term] id: MCO:0000087 name: mini-Tn5-nrdEF transposon is_a: MCO:0000086 ! mini-Tn5 transposon [Term] id: MCO:0000088 name: mini-Tn10 transposon is_a: MCO:0000385 ! transposon mutant [Term] id: MCO:0000089 name: IS10R is_a: MCO:0000384 ! insertion sequence mutant [Term] id: MCO:0000090 name: IS186 is_a: MCO:0000384 ! insertion sequence mutant [Term] id: MCO:0000091 name: IS3E is_a: MCO:0000384 ! insertion sequence mutant [Term] id: MCO:0000092 name: allS knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of allS gene has been disrupted" xsd:string [Term] id: MCO:0000093 name: arcA knockout mutant xref: colombos:arcA_b4401.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of arcA gene has been disrupted" xsd:string [Term] id: MCO:0000095 name: cra knockout mutant xref: colombos:cra.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of cra gene has been disrupted" xsd:string [Term] id: MCO:0000096 name: crp knockout mutant xref: colombos:crp_b3357.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of crp gene has been disrupted" xsd:string [Term] id: MCO:0000097 name: cyaA knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000190 "cya knockout mutant" xsd:string property_value: MCO:0000851 "a knockout mutant in which the function of cyaA gene has been disrupted" xsd:string [Term] id: MCO:0000098 name: fhlA knockout mutant xref: colombos:fhlA_b2731.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of fhlA gene has been disrupted" xsd:string [Term] id: MCO:0000099 name: fnr knockout mutant xref: colombos:fnr_b1334.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of fnr gene has been disrupted" xsd:string [Term] id: MCO:0000100 name: himA knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of himA gene has been disrupted" xsd:string [Term] id: MCO:0000101 name: hydG knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of hydG gene has been disrupted" xsd:string [Term] id: MCO:0000102 name: iclR knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of iclR gene has been disrupted" xsd:string [Term] id: MCO:0000103 name: ihfB knockout mutant xref: colombos:ihfB_b0912.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of ihfB gene has been disrupted" xsd:string [Term] id: MCO:0000104 name: lrp knockout mutant xref: colombos:lrp_b0889.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of lrp gene has been disrupted" xsd:string [Term] id: MCO:0000105 name: bioA knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of bioA gene has been disrupted" xsd:string [Term] id: MCO:0000106 name: metC knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of metC gene has been disrupted" xsd:string [Term] id: MCO:0000107 name: metE knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of metE gene has been disrupted" xsd:string [Term] id: MCO:0000108 name: metR knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of metR gene has been disrupted" xsd:string [Term] id: MCO:0000109 name: narL knockout mutant xref: colombos:narL_b1221.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of narL gene has been disrupted" xsd:string [Term] id: MCO:0000110 name: bioD knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of bioD gene has been disrupted" xsd:string [Term] id: MCO:0000111 name: oxyR knockout mutant xref: colombos:oxyR_b3961.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of oxyR gene has been disrupted" xsd:string [Term] id: MCO:0000112 name: pdhR knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of pdhR gene has been disrupted" xsd:string [Term] id: MCO:0000113 name: relA knockout mutant xref: colombos:relA_b2784.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of relA gene has been disrupted" xsd:string [Term] id: MCO:0000114 name: rpoS knockout mutant def: "a knockout mutant in which the function of rpoS gene has been disrupted" [] xref: colombos:rpoS_b2741.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000190 "abrD1 knockout mutant" xsd:string [Term] id: MCO:0000115 name: rsd knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of rsd gene has been disrupted" xsd:string [Term] id: MCO:0000116 name: sdiA knockout mutant xref: colombos:sdiA_b1916.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of sdiA gene has been disrupted" xsd:string [Term] id: MCO:0000117 name: soxR knockout mutant xref: colombos:soxR_b4063.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of soxR gene has been disrupted" xsd:string [Term] id: MCO:0000119 name: soxS knockout mutant xref: colombos:soxS_b4062.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of soxS gene has been disrupted" xsd:string [Term] id: MCO:0000120 name: spoT knockout mutant xref: colombos:spoT_b3650.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of spoT gene has been disrupted" xsd:string [Term] id: MCO:0000121 name: yiaJ knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of yiaJ gene has been disrupted" xsd:string [Term] id: MCO:0000122 name: zntR knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of zntR gene has been disrupted" xsd:string [Term] id: MCO:0000123 name: znuA knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of znuA gene has been disrupted" xsd:string [Term] id: MCO:0000124 name: znuB knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of znuB gene has been disrupted" xsd:string [Term] id: MCO:0000125 name: non-coding region variant mutant is_a: NCIT:C25360 ! mutant property_value: MCO:0000851 "a mutant in which a non coding region is modified" xsd:string [Term] id: MCO:0000126 name: C-T transition at nt -10 from bioA translational start site is_a: MCO:0000125 ! non-coding region variant mutant [Term] id: MCO:0000127 name: multicopy plasmid pRB38 (arcA) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000128 name: multicopy plasmid pUA524 (nrdEF) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000129 name: multicopy plasmid pAMC35 (pexB) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000130 name: multicopy plasmid pGS623 (pdhR-lpd) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000131 name: multicopy plasmid pDEL15 (maoB) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000132 name: multicopy plasmid pGS613 (pdhR) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000133 name: multicopy plasmid pBA11 (birA) mutant is_a: MCO:0000055 ! multicopy harbored plasmid mutant [Term] id: MCO:0000135 name: plasmid pSXS (IPTG-induced soxS) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000136 name: plasmid pBF1 (arabinose-induced rpoS) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000137 name: plasmid pSXR (IPTG-induced soxR) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000138 name: plasmid pSKOG (K. oxytoca hydG) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000139 name: plasmid pRL48 (from nt -1398 to nt +70 relative to rpoS translational start site) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000140 name: plasmid pUBAD::rpoS (arabinose-induced rpoS) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000141 name: plasmid pKB1A (from nt -153 to nt +1166 relative to bioA translational start site) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000142 name: plasmid pBADBaeR (arabinose-induced baeR) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000143 name: plasmid pKB1B (from nt -1256 to nt +63 relative to bioB translational start site) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000144 name: plasmid pSE190 (crp H21A) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000145 name: plasmid pKB11A (from nt -153 to nt +12 relative to bioA translational start site) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000146 name: plasmid pSE188 (crp G162A) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000147 name: plasmid pACYCRsd (rsd) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000148 name: plasmid pALS13 (IPTG-induced truncated relA) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000150 name: plasmid pSXR (not induced soxR) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000151 name: plasmid pSE186 (crp) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000152 name: plasmid pKB11B (from nt -102 to nt +63 relative to bioB translational start site) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000153 name: plasmid pALS13 (not induced truncated relA) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000154 name: plasmid pSE189 (crp H19A) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000156 name: plasmid pBAD/Myc-HisA mutant is_a: MCO:0000057 ! unicopy plasmid backbone mutant [Term] id: MCO:0000157 name: plasmid pBAD22A mutant is_a: MCO:0000057 ! unicopy plasmid backbone mutant [Term] id: MCO:0000158 name: plasmid pSE380 mutant is_a: MCO:0000057 ! unicopy plasmid backbone mutant [Term] id: MCO:0000159 name: plasmid pGB2 mutant is_a: MCO:0000057 ! unicopy plasmid backbone mutant [Term] id: MCO:0000160 name: plasmid pSU2719 mutant is_a: MCO:0000057 ! unicopy plasmid backbone mutant [Term] id: MCO:0000161 name: plasmid pACYC184 mutant is_a: MCO:0000057 ! unicopy plasmid backbone mutant [Term] id: MCO:0000162 name: marA knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of marA gene has been disrupted" xsd:string [Term] id: MCO:0000163 name: acid stress is_a: PECO:0001036 ! chemical stress treatment property_value: MCO:0000190 "acidic stress" xsd:string [Term] id: MCO:0000164 name: alkylation damage is_a: PECO:0001036 ! chemical stress treatment [Term] id: MCO:0000165 name: antibiotic stress is_a: PECO:0001036 ! chemical stress treatment [Term] id: MCO:0000166 name: copper stress is_a: PECO:0001036 ! chemical stress treatment [Term] id: MCO:0000167 name: nitrosative stress is_a: PECO:0001036 ! chemical stress treatment [Term] id: MCO:0000168 name: phosphosugar stress is_a: PECO:0001036 ! chemical stress treatment [Term] id: MCO:0000169 name: zinc stress is_a: PECO:0001036 ! chemical stress treatment [Term] id: MCO:0000170 name: temperature stress treatment is_a: MCO:0000866 ! treatment property_value: MCO:0000190 "temperature stimulus" xsd:string [Term] id: MCO:0000171 name: cold stress treatment is_a: MCO:0000170 ! temperature stress treatment property_value: MCO:0000190 "cold shock" xsd:string property_value: MCO:0000190 "cold stress" xsd:string property_value: MCO:0000190 "frost" xsd:string property_value: MCO:0000190 "low temperature" xsd:string [Term] id: MCO:0000172 name: heat stress treatment xref: colombos:HEATSHOCK is_a: MCO:0000170 ! temperature stress treatment property_value: MCO:0000190 "heat" xsd:string property_value: MCO:0000190 "heat shock" xsd:string property_value: MCO:0000190 "heat stress" xsd:string property_value: MCO:0000190 "high temperature" xsd:string [Term] id: MCO:0000173 name: nutrient availability stress treatment is_a: MCO:0000866 ! treatment [Term] id: MCO:0000174 name: nutrient depletion treatment is_a: MCO:0000173 ! nutrient availability stress treatment property_value: MCO:0000190 "nutrient deprivation" xsd:string property_value: MCO:0000190 "nutrient starvation" xsd:string [Term] id: MCO:0000175 name: nutrient excess treatment is_a: MCO:0000173 ! nutrient availability stress treatment [Term] id: MCO:0000176 name: nutrient limitation treatment is_a: MCO:0000173 ! nutrient availability stress treatment [Term] id: MCO:0000177 name: iron depletion is_a: MCO:0000174 ! nutrient depletion treatment property_value: MCO:0000190 "iron deprivation" xsd:string property_value: MCO:0000190 "iron starvation" xsd:string [Term] id: MCO:0000178 name: carbon starvation is_a: MCO:0000174 ! nutrient depletion treatment property_value: MCO:0000190 "carbon depletion" xsd:string property_value: MCO:0000190 "carbon deprivation" xsd:string [Term] id: MCO:0000179 name: nitrogen starvation is_a: MCO:0000174 ! nutrient depletion treatment property_value: MCO:0000190 "nitrogen depletion" xsd:string property_value: MCO:0000190 "nitrogen deprivation" xsd:string [Term] id: MCO:0000180 name: phosphate starvation is_a: MCO:0000174 ! nutrient depletion treatment property_value: MCO:0000190 "phosphate depletion" xsd:string property_value: MCO:0000190 "phosphate deprivation" xsd:string [Term] id: MCO:0000181 name: pyrimidine limitation is_a: MCO:0000176 ! nutrient limitation treatment disjoint_from: MCO:0000182 ! iron limitation [Term] id: MCO:0000182 name: iron limitation is_a: MCO:0000176 ! nutrient limitation treatment [Term] id: MCO:0000183 name: carbon limitation is_a: MCO:0000176 ! nutrient limitation treatment [Term] id: MCO:0000184 name: nitrogen limitation is_a: MCO:0000176 ! nutrient limitation treatment [Term] id: MCO:0000185 name: phosphate limitation is_a: MCO:0000176 ! nutrient limitation treatment [Term] id: MCO:0000186 name: potassium limitation is_a: MCO:0000176 ! nutrient limitation treatment property_value: MCO:0000190 "potasium ion limiting" xsd:string [Term] id: MCO:0000187 name: pyrimidine excess is_a: MCO:0000175 ! nutrient excess treatment [Term] id: MCO:0000188 name: dessication is_a: MCO:0000866 ! treatment [Term] id: MCO:0000189 name: envelope stress is_a: MCO:0000866 ! treatment property_value: MCO:0000190 "cell membrane damage" xsd:string property_value: MCO:0000190 "envelope damage" xsd:string property_value: MCO:0000190 "membrane distortion" xsd:string property_value: MCO:0000190 "outer membrane damage" xsd:string property_value: MCO:0000190 "peptidoglycan damage" xsd:string [Term] id: MCO:0000191 name: nlpE overexpression mutant is_a: MCO:0000041 ! overexpression mutant disjoint_from: MCO:0000192 ! ompC overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which nlpE is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000192 name: ompC overexpression mutant is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ompC is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000193 name: ompF overexpression mutant is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ompF is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000194 name: ompX overexpression mutant is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ompX is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000195 name: rpoE overexpression mutant xref: colombos:rpoE_b2573.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which rpoE is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000196 name: 28.0 C is_a: PATO:0000146 ! temperature disjoint_from: MCO:0000197 ! 30.0 C disjoint_from: MCO:0000197 ! 30.0 C disjoint_from: MCO:0000197 ! 30.0 C property_value: MCO:0000190 "28ºC" xsd:string [Term] id: MCO:0000197 name: 30.0 C xref: colombos:TEMPERATURE\:30°C xref: colombos:TEMPERATURE\:37-7°C is_a: PATO:0000146 ! temperature property_value: MCO:0000190 "30ºC" xsd:string [Term] id: MCO:0000198 name: 32.0 C xref: colombos:TEMPERATURE\:32°C is_a: PATO:0000146 ! temperature property_value: MCO:0000190 "32ºC" xsd:string [Term] id: MCO:0000199 name: 37.0 C xref: colombos:TEMPERATURE\:37°C is_a: PATO:0000146 ! temperature property_value: MCO:0000190 "37ºC" xsd:string [Term] id: MCO:0000200 name: (NH4)2Fe(SO4)2 10 mM is_a: MCO:0000794 ! chebi_requests [Term] id: MCO:0000201 name: (NH4)2Fe(SO4)2 30 µM is_a: MCO:0000200 ! (NH4)2Fe(SO4)2 10 mM [Term] id: MCO:0000202 name: CCCP 10 µM is_a: CHEBI:3259 ! CCCP [Term] id: MCO:0000203 name: CTP 800 µM is_a: CHEBI:17677 ! CTP [Term] id: MCO:0000204 name: Cd(II) 1 to 100 µM is_a: CHEBI:48775 ! cadmium(2+) [Term] id: MCO:0000205 name: cadmium dichloride 0.5 mM is_a: CHEBI:35456 ! cadmium dichloride property_value: MCO:0000190 "CdCl2 0.5 mM" xsd:string [Term] id: MCO:0000206 name: copper(II) sulfate 3 mM is_a: CHEBI:23414 ! copper(II) sulfate property_value: MCO:0000190 "CuSO4 3 mM" xsd:string [Term] id: MCO:0000207 name: D-xylose 120 µM is_a: CHEBI:65327 ! D-xylose [Term] id: MCO:0000208 name: N-Decanoyl-DL-homoserine lactone 1 µM comment: This class is temporarily here, until we request chebi incorporations. is_a: MCO:0000794 ! chebi_requests property_value: MCO:0000190 "DHSL 1 µM" xsd:string [Term] id: MCO:0000209 name: DNP 0.5 mM is_a: CHEBI:42017 ! 2,4-dinitrophenol [Term] id: MCO:0000210 name: 2,2'-bipyridine 150 μm is_a: CHEBI:30351 ! 2,2'-bipyridine property_value: MCO:0000190 "2,2'-dipyridyl 150 μm" xsd:string property_value: MCO:0000190 "Dipy 150 µM" xsd:string [Term] id: MCO:0000211 name: 2,2’-bipyridine 20 mM is_a: CHEBI:30351 ! 2,2'-bipyridine relationship: MCO:0000860 MCO:0000182 ! used in Escherichia coli treatment iron limitation property_value: MCO:0000190 "2,2’-dipyridyl 20 mM" xsd:string [Term] id: MCO:0000212 name: 2,2’-bipyridine 200 µM is_a: CHEBI:30351 ! 2,2'-bipyridine relationship: MCO:0000860 MCO:0000177 ! used in Escherichia coli treatment iron depletion property_value: MCO:0000190 "2,2'-bipyridine 0.2 mM" xsd:string property_value: MCO:0000190 "2,2’-dipyridyl 200 µM" xsd:string [Term] id: MCO:0000213 name: EGTA 50 mM is_a: CHEBI:30740 ! ethylene glycol bis(2-aminoethyl)tetraacetic acid [Term] id: MCO:0000214 name: iron(2+) sulfate (anhydrous) 20 µM is_a: CHEBI:75832 ! iron(2+) sulfate (anhydrous) property_value: MCO:0000190 "FeSO4 20 µM" xsd:string [Term] id: MCO:0000215 name: GTP 800 µM is_a: CHEBI:15996 ! GTP [Term] id: MCO:0000216 name: S-nitrosoglutathione 50 µM is_a: CHEBI:50091 ! S-nitrosoglutathione property_value: MCO:0000190 "GSNO 50 µM" xsd:string [Term] id: MCO:0000217 name: hydrogen peroxide 100 µM is_a: CHEBI:16240 ! hydrogen peroxide disjoint_from: MCO:0000218 ! hydrogen peroxide 120 µM property_value: MCO:0000190 "H2O2 100 µM" xsd:string [Term] id: MCO:0000218 name: hydrogen peroxide 120 µM is_a: CHEBI:16240 ! hydrogen peroxide relationship: MCO:0000860 PECO:0001037 ! used in Escherichia coli treatment oxidative stress treatment property_value: MCO:0000190 "H2O2 120 µM" xsd:string [Term] id: MCO:0000219 name: Hg(II) 1 to 10 µM is_a: CHEBI:16793 ! mercury(2+) [Term] id: MCO:0000220 name: L-ascorbate 60 mM is_a: CHEBI:38290 ! L-ascorbate [Term] id: MCO:0000221 name: L-fucose 60 mM is_a: CHEBI:18287 ! L-fucose [Term] id: MCO:0000222 name: L-glutamine 0.2% is_a: CHEBI:18050 ! L-glutamine [Term] id: MCO:0000223 name: L-rhamnose 0.2% is_a: CHEBI:62345 ! L-rhamnose [Term] id: MCO:0000224 name: maltose 0.2% is_a: CHEBI:17306 ! maltose [Term] id: MCO:0000225 name: methyl methanesulfonate 0.05% is_a: CHEBI:25255 ! methyl methanesulfonate property_value: MCO:0000190 "MMS 0.05%" xsd:string [Term] id: MCO:0000226 name: MnCl2 1 mM is_a: CHEBI:63041 ! manganese(II) chloride [Term] id: MCO:0000227 name: ammonium chloride 10 mM is_a: CHEBI:31206 ! ammonium chloride property_value: MCO:0000190 "NH4Cl 10 mM" xsd:string [Term] id: MCO:0000228 name: sodium chloride 0.35 M is_a: CHEBI:26710 ! sodium chloride disjoint_from: MCO:0000766 ! sodium chloride 0.3 M relationship: MCO:0000860 PECO:0001038 ! used in Escherichia coli treatment osmotic stress treatment property_value: MCO:0000190 "NaCl 0.35 M" xsd:string [Term] id: MCO:0000229 name: Pb(II) 0.5 mM is_a: CHEBI:49807 ! lead(2+) [Term] id: MCO:0000230 name: PbCl2 1 mM is_a: CHEBI:88212 ! lead(II) chloride [Term] id: MCO:0000231 name: T-broth 0.02% is_a: MCO:0000027 ! T-broth [Term] id: MCO:0000232 name: tetrachlorosalicylanilide 10 µM is_a: CHEBI:9473 ! tetrachlorosalicylanilide property_value: MCO:0000190 "TCS 10 µM" xsd:string [Term] id: MCO:0000233 name: TMAO 50 mM is_a: CHEBI:15724 ! trimethylamine N-oxide [Term] id: MCO:0000234 name: N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine 1.5 µM is_a: CHEBI:88217 ! N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine relationship: MCO:0000860 MCO:0000861 ! used in Escherichia coli treatment zinc depletion property_value: MCO:0000190 "TPEN 1.5 µM" xsd:string [Term] id: MCO:0000235 name: UMP 0.25 mM is_a: CHEBI:16695 ! UMP relationship: MCO:0000860 MCO:0000181 ! used in Escherichia coli treatment pyrimidine limitation [Term] id: MCO:0000236 name: UTP 50 µM is_a: CHEBI:15713 ! UTP [Term] id: MCO:0000237 name: UTP 800 µM is_a: CHEBI:15713 ! UTP [Term] id: MCO:0000238 name: N-(3-oxohexanoyl)-L-homoserine lactone 1 µM is_a: CHEBI:63789 ! N-(3-oxohexanoyl)-L-homoserine lactone property_value: MCO:0000190 "V. fischeri autoinducer 1 μL" xsd:string [Term] id: MCO:0000239 name: V. harveyi autoinducer 1 µM comment: This class is temporarily here, until we request chebi incorporations. is_a: MCO:0000794 ! chebi_requests property_value: MCO:0000190 "(N-(3-hydroxybutanoyl)-L-homoserine lactone 1 µM" xsd:string [Term] id: MCO:0000240 name: Zn(II) 1 mM is_a: CHEBI:29105 ! zinc(2+) [Term] id: MCO:0000241 name: Zn(II) 1.1 mM is_a: CHEBI:29105 ! zinc(2+) [Term] id: MCO:0000242 name: ZnCl2 0.2 to 1 mM is_a: CHEBI:49976 ! zinc dichloride [Term] id: MCO:0000243 name: ZnCl2 1 mM is_a: CHEBI:49976 ! zinc dichloride [Term] id: MCO:0000244 name: zinc sulfate 1 mM is_a: CHEBI:35176 ! zinc sulfate property_value: MCO:0000190 "ZnSO4 1 mM" xsd:string [Term] id: MCO:0000245 name: zinc sulfate 5 µM is_a: CHEBI:35176 ! zinc sulfate property_value: MCO:0000190 "ZnSO4 5 µM" xsd:string [Term] id: MCO:0000246 name: acetate 0.009% is_a: CHEBI:30089 ! acetate disjoint_from: MCO:0000247 ! acetate 0.4% [Term] id: MCO:0000247 name: acetate 0.4% is_a: CHEBI:30089 ! acetate [Term] id: MCO:0000248 name: acetate 4 g/L is_a: CHEBI:30089 ! acetate [Term] id: MCO:0000249 name: acetate 50 mM is_a: CHEBI:30089 ! acetate [Term] id: MCO:0000250 name: allantoin 60 mM is_a: CHEBI:15676 ! allantoin [Term] id: MCO:0000251 name: amino acids 50 µg is_a: CHEBI:33709 ! amino acid [Term] id: MCO:0000252 name: ammonium sulfate 0.5 mM is_a: CHEBI:62946 ! ammonium sulfate [Term] id: MCO:0000253 name: ammonium sulfate 20 mM is_a: CHEBI:62946 ! ammonium sulfate [Term] id: MCO:0000254 name: arginine 1 mM is_a: CHEBI:29016 ! arginine [Term] id: MCO:0000255 name: aspartate 50 mM is_a: CHEBI:132943 ! aspartate [Term] id: MCO:0000256 name: biotin 4 µM is_a: CHEBI:15956 ! biotin [Term] id: MCO:0000257 name: cAMP 1 mM is_a: CHEBI:17489 ! 3',5'-cyclic AMP [Term] id: MCO:0000258 name: cAMP 2 mM is_a: CHEBI:17489 ! 3',5'-cyclic AMP [Term] id: MCO:0000259 name: cAMP 5 mM is_a: CHEBI:17489 ! 3',5'-cyclic AMP [Term] id: MCO:0000260 name: cadmium dichloride 600 µM is_a: CHEBI:35456 ! cadmium dichloride property_value: MCO:0000190 "cadmium chloride 600 µM" xsd:string [Term] id: MCO:0000261 name: casamino acids 0.05% is_a: MICRO:0000184 ! casamino acids [Term] id: MCO:0000262 name: casamino acids 0.2% is_a: MICRO:0000184 ! casamino acids [Term] id: MCO:0000263 name: casamino acids 0.4% is_a: MICRO:0000184 ! casamino acids [Term] id: MCO:0000264 name: casamino acids 0.5% is_a: MICRO:0000184 ! casamino acids [Term] id: MCO:0000265 name: desferrioxamine B mesylate 20 mM is_a: CHEBI:31460 ! desferrioxamine B mesylate property_value: MCO:0000190 "desferal 20 mM" xsd:string [Term] id: MCO:0000266 name: desferrioxamine B mesylate 5 µM is_a: CHEBI:31460 ! desferrioxamine B mesylate property_value: MCO:0000190 "desferal 5 µM" xsd:string [Term] id: MCO:0000267 name: ethidium bromide 250 µM is_a: CHEBI:4883 ! ethidium bromide [Term] id: MCO:0000268 name: ferri-desferal 10 µM is_a: CHEBI:5044 ! ferrioxamine B [Term] id: MCO:0000269 name: fructose 0.4% is_a: CHEBI:28757 ! fructose [Term] id: MCO:0000270 name: fumarate 50 mM comment: This class is temporarily here, until we request chebi incorporations. is_a: MCO:0000794 ! chebi_requests [Term] id: MCO:0000271 name: glucose 0.05% is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000272 name: glucose 0.2% is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000273 name: glucose 0.4% is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000274 name: glucose 0.5% is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000275 name: glucose 10 mM is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000276 name: glucose 11 mM is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000277 name: glucose 120 mM is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000278 name: glucose 2 mg/mL xref: colombos:GLUCOSE\:2_g/L is_a: CHEBI:17234 ! glucose property_value: MCO:0000190 "glucose 2 g/L" xsd:string [Term] id: MCO:0000279 name: glucose 2% is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000280 name: glucose 4 g/L is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000281 name: glucose 60 mM is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000282 name: glycerol 0.4% is_a: CHEBI:17754 ! glycerol disjoint_from: MCO:0000283 ! glycerol 1% [Term] id: MCO:0000283 name: glycerol 1% is_a: CHEBI:17754 ! glycerol [Term] id: MCO:0000284 name: homocysteine 1 mM is_a: CHEBI:17230 ! homocysteine [Term] id: MCO:0000285 name: homoserine lactone 10 mM is_a: CHEBI:17289 ! homoserine lactone [Term] id: MCO:0000286 name: hydroxyurea 50 mM is_a: CHEBI:44423 ! hydroxyurea [Term] id: MCO:0000287 name: leucine 0.76 mM is_a: CHEBI:25017 ! leucine [Term] id: MCO:0000288 name: malate 50 mM is_a: CHEBI:25115 ! malate [Term] id: MCO:0000289 name: maleate 50 mM is_a: CHEBI:132951 ! maleate [Term] id: MCO:0000290 name: methionine 200 µg/mL is_a: CHEBI:16811 ! methionine [Term] id: MCO:0000291 name: nalidixic acid 160 µM is_a: CHEBI:100147 ! nalidixic acid disjoint_from: MCO:0000756 ! nalidixic acid 10µg/ml [Term] id: MCO:0000292 name: nickel dichloride 5 µM is_a: CHEBI:34887 ! nickel dichloride relationship: MCO:0000860 PECO:0001037 ! used in Escherichia coli treatment oxidative stress treatment property_value: MCO:0000190 "NiCl2 5 µM" xsd:string [Term] id: MCO:0000293 name: nitrate 50 mM is_a: CHEBI:17632 ! nitrate disjoint_from: MCO:0000759 ! nitrate 0.01 M [Term] id: MCO:0000294 name: novobiocin 12.5 µg/mL is_a: CHEBI:28368 ! novobiocin [Term] id: MCO:0000295 name: dioxygen 10 µM is_a: CHEBI:15379 ! dioxygen property_value: MCO:0000190 "oxygen 10 µM" xsd:string [Term] id: MCO:0000296 name: dioxygen < 10 µM is_a: CHEBI:15379 ! dioxygen property_value: MCO:0000190 "oxygen < 10 µM" xsd:string [Term] id: MCO:0000297 name: dioxygen > 10 µM is_a: CHEBI:15379 ! dioxygen property_value: MCO:0000190 "oxygen > 10 µM" xsd:string [Term] id: MCO:0000298 name: p-aminobenzoic acid 40 µM is_a: CHEBI:30753 ! 4-aminobenzoic acid [Term] id: MCO:0000299 name: p-hydroxybenzoic acid 40 µM is_a: CHEBI:30763 ! 4-hydroxybenzoic acid [Term] id: MCO:0000300 name: paraquat 0.25 mM is_a: CHEBI:34905 ! paraquat relationship: MCO:0000860 PECO:0001037 ! used in Escherichia coli treatment oxidative stress treatment [Term] id: MCO:0000301 name: paraquat 0.5 mM is_a: CHEBI:34905 ! paraquat [Term] id: MCO:0000302 name: paraquat 50 µM is_a: CHEBI:34905 ! paraquat [Term] id: MCO:0000303 name: paraquat 500 µM is_a: CHEBI:34905 ! paraquat [Term] id: MCO:0000304 name: pyruvate 40 mM is_a: CHEBI:15361 ! pyruvate [Term] id: MCO:0000305 name: phenylalanine 1 mM is_a: CHEBI:28044 ! phenylalanine [Term] id: MCO:0000306 name: phenylalanine 0.1 mg/mL is_a: CHEBI:28044 ! phenylalanine [Term] id: MCO:0000307 name: potassium glutamate 300 mM comment: This class is temporarily here, until we request chebi incorporations. is_a: MCO:0000794 ! chebi_requests [Term] id: MCO:0000308 name: potassium glutamate 50 mM comment: This class is temporarily here, until we request chebi incorporations. is_a: MCO:0000307 ! potassium glutamate 300 mM [Term] id: MCO:0000309 name: rifampicin 500 µg/mL is_a: CHEBI:28077 ! rifampicin property_value: MCO:0000190 "rifampin 500 µg/mL" xsd:string [Term] id: MCO:0000310 name: salicylate 5 mM is_a: CHEBI:30762 ! salicylate [Term] id: MCO:0000311 name: sodium acetate 2% is_a: CHEBI:32954 ! sodium acetate [Term] id: MCO:0000312 name: sodium arsenite 50 µM is_a: CHEBI:29678 ! sodium arsenite [Term] id: MCO:0000313 name: sodium citrate 10 mM is_a: CHEBI:53258 ! sodium citrate [Term] id: MCO:0000314 name: sodium formate 30 mM is_a: CHEBI:62965 ! sodium formate [Term] id: MCO:0000315 name: sodium molybdate 1 µM is_a: CHEBI:75215 ! sodium molybdate (anhydrous) [Term] id: MCO:0000316 name: sodium nitrate 20 mM is_a: CHEBI:63005 ! sodium nitrate [Term] id: MCO:0000317 name: sodium nitrite 2.5 mM is_a: CHEBI:78870 ! sodium nitrite [Term] id: MCO:0000318 name: sodium nitroprusside 50 µM is_a: CHEBI:29321 ! sodium nitroprusside [Term] id: MCO:0000319 name: sodium salicylate 5 mM is_a: CHEBI:9180 ! Sodium salicylate [Term] id: MCO:0000320 name: sodium selenite 1 µM is_a: CHEBI:48843 ! disodium selenite [Term] id: MCO:0000321 name: succinate 0.5% is_a: CHEBI:26806 ! succinate [Term] id: MCO:0000322 name: succinate 40 mM is_a: CHEBI:26806 ! succinate [Term] id: MCO:0000323 name: succinate 50 mM is_a: CHEBI:26806 ! succinate [Term] id: MCO:0000324 name: succinate 60 mM is_a: CHEBI:26806 ! succinate [Term] id: MCO:0000325 name: thiamine 0.2 µg/mL is_a: CHEBI:26948 ! thiamine [Term] id: MCO:0000326 name: thiamine 1 µg/mL is_a: CHEBI:26948 ! thiamine [Term] id: MCO:0000327 name: thiamine 10 µg/mL is_a: CHEBI:26948 ! thiamine [Term] id: MCO:0000328 name: thiamine 5 µg/mL is_a: CHEBI:26948 ! thiamine [Term] id: MCO:0000329 name: thiamine hydrochloride 0.015 mM is_a: CHEBI:49105 ! thiamine hydrochloride [Term] id: MCO:0000330 name: trehalose 0.5 to 0.7 M is_a: CHEBI:27082 ! trehalose [Term] id: MCO:0000331 name: trehalose 0.7 M is_a: MCO:0000330 ! trehalose 0.5 to 0.7 M [Term] id: MCO:0000332 name: trehalose 1.2 M is_a: MCO:0000330 ! trehalose 0.5 to 0.7 M [Term] id: MCO:0000333 name: trehalose 1 M is_a: MCO:0000330 ! trehalose 0.5 to 0.7 M [Term] id: MCO:0000334 name: tryptophan 1 mM is_a: CHEBI:27897 ! tryptophan [Term] id: MCO:0000335 name: tryptone 10 g/L is_a: MICRO:0000182 ! tryptone [Term] id: MCO:0000336 name: tyramine 3 mM is_a: CHEBI:15760 ! tyramine [Term] id: MCO:0000337 name: tyrosine 0.1 mg/mL is_a: CHEBI:18186 ! tyrosine [Term] id: MCO:0000338 name: tyrosine 1 mM is_a: CHEBI:18186 ! tyrosine [Term] id: MCO:0000339 name: uracil 1 mM is_a: CHEBI:17568 ! uracil relationship: MCO:0000860 MCO:0000187 ! used in Escherichia coli treatment pyrimidine excess [Term] id: MCO:0000340 name: vitamin assay casamino acids 0.5% is_a: MCO:0000081 ! vitamin assay casamino acids [Term] id: MCO:0000341 name: yeast extract 5 g/L is_a: MICRO:0000201 ! yeast extract [Term] id: MCO:0000342 name: growth phase xref: colombos:GROWTH.PHASE_UNKNOWN is_a: BFO:0000011 ! spatiotemporal region [Term] id: MCO:0000343 name: protox assay is_a: MICRO:0000067 ! microbiological culture medium [Term] id: MCO:0000344 name: isoosmotic treatment is_a: PECO:0001038 ! osmotic stress treatment property_value: MCO:0000190 "Isoosmotic" xsd:string [Term] id: MCO:0000345 name: OD650 of 0.2 is_a: MCO:0000069 ! OD650 disjoint_from: MCO:0000346 ! OD650 of 0.4 disjoint_from: MCO:0000346 ! OD650 of 0.4 property_value: MCO:0000190 "OD650 0.2" xsd:string [Term] id: MCO:0000346 name: OD650 of 0.4 is_a: MCO:0000069 ! OD650 property_value: MCO:0000190 "OD650 0.4" xsd:string [Term] id: MCO:0000347 name: OD650 of 0.5 is_a: MCO:0000069 ! OD650 property_value: MCO:0000190 "OD650 0.5" xsd:string [Term] id: MCO:0000348 name: OD650 of 0.8 is_a: MCO:0000069 ! OD650 property_value: MCO:0000190 "OD650 0.8" xsd:string [Term] id: MCO:0000349 name: OD650 from 0.5 to 0.7 is_a: MCO:0000069 ! OD650 property_value: MCO:0000190 "OD650 between 0.5 and 0.7" xsd:string [Term] id: MCO:0000350 name: allR knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of allR gene has been disrupted" xsd:string [Term] id: MCO:0000351 name: arsR knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of arsR gene has been disrupted" xsd:string [Term] id: MCO:0000352 name: hyperosmotic treatment is_a: PECO:0001038 ! osmotic stress treatment property_value: MCO:0000190 "high osmolarity" xsd:string property_value: MCO:0000190 "hyperosmotic" xsd:string [Term] id: MCO:0000353 name: hypochlorite stress is_a: PECO:0001036 ! chemical stress treatment [Term] id: MCO:0000354 name: magnesium limitation is_a: MCO:0000176 ! nutrient limitation treatment property_value: MCO:0000190 "low magnesium" xsd:string [Term] id: MCO:0000355 name: hypoosmotic treatment is_a: PECO:0001038 ! osmotic stress treatment property_value: MCO:0000190 "low osmolarity" xsd:string [Term] id: MCO:0000356 name: pH 5.0 xref: colombos:pH\:5 is_a: ZECO:0000201 ! acidic disjoint_from: MCO:0000357 ! pH 5.8 disjoint_from: MCO:0000357 ! pH 5.8 [Term] id: MCO:0000357 name: pH 5.8 is_a: ZECO:0000201 ! acidic [Term] id: MCO:0000358 name: pH 6.0 is_a: ZECO:0000201 ! acidic [Term] id: MCO:0000359 name: pH 6.5 is_a: ZECO:0000201 ! acidic [Term] id: MCO:0000360 name: pH 7.0 xref: colombos:pH\:5+2 xref: colombos:pH\:5.5+1.5 xref: colombos:pH\:7 is_a: ZECO:0000200 ! pH [Term] id: MCO:0000361 name: pH 7.6 xref: colombos:pH\:7.6 is_a: ZECO:0000202 ! basic disjoint_from: MCO:0000717 ! pH 8.5 [Term] id: MCO:0000362 name: nitrogen rich is_a: MCO:0000175 ! nutrient excess treatment [Term] id: MCO:0000363 name: trehalose above 1.2 M is_a: MCO:0000330 ! trehalose 0.5 to 0.7 M [Term] id: MCO:0000364 name: lag phase def: "a growth phase in which growth rate is null" [] xref: colombos:GROWTH.LAG xref: colombos:GROWTH.LAG\:+1 is_a: MCO:0000342 ! growth phase disjoint_from: MCO:0000365 ! acceleration phase disjoint_from: MCO:0000365 ! acceleration phase [Term] id: MCO:0000365 name: acceleration phase def: "a growth phase in wich growth rate increases" [] is_a: MCO:0000342 ! growth phase property_value: MCO:0000190 "transition into exponential phase" xsd:string [Term] id: MCO:0000366 name: exponential phase def: "a growth phase in which growth rate is constant" [] xref: colombos:GROWTH.EXPONENTIAL xref: colombos:GROWTH.EXPONENTIAL\:+1 is_a: MCO:0000342 ! growth phase property_value: MCO:0000190 "exponential growth phase" xsd:string property_value: MCO:0000190 "log phase" xsd:string property_value: MCO:0000190 "logarithmic phase" xsd:string [Term] id: MCO:0000367 name: retardation phase def: "a growth phase in which growth rate decreases" [] comment: Evidencias de que el término TRANSITION de colombos corresponde a retardation phase:\n\nThe passage of E. coli from exponential to transition to stationary phase was mirrored by successive depletion of amino acids from the growth medium (Fig. 3) and could be delayed by amino acid supplementation (Fig. 5). PMID:22389370. xref: colombos:GROWTH.TRANSITION is_a: MCO:0000342 ! growth phase property_value: MCO:0000190 "transition into stationary phase" xsd:string property_value: MCO:0000190 "transition-to-stationary" xsd:string [Term] id: MCO:0000368 name: stationary phase def: "a growth phase after retardation phase in which growth rate is null" [] xref: colombos:GROWTH.STATIONARY xref: colombos:GROWTH.STATIONARY\:+1 is_a: MCO:0000342 ! growth phase [Term] id: MCO:0000369 name: phase of decline def: "a growth phase in which growth rate is negative" [] is_a: MCO:0000342 ! growth phase [Term] id: MCO:0000370 name: early exponential phase def: "is a growth phase that is part of exponential phase and that is located between acceleration phase and mid exponential phase" [] is_a: MCO:0000342 ! growth phase [Term] id: MCO:0000371 name: early stationary phase def: "a growth phase that is part of stationary phase and locates right after retardation phase" [] is_a: MCO:0000342 ! growth phase [Term] id: MCO:0000372 name: early to mid exponential phase def: "is a growth phase that comprises early exponential phase and mid exponential phase" [] is_a: MCO:0000342 ! growth phase [Term] id: MCO:0000373 name: late exponential phase def: "is a growth phase that is part of exponential phase and locates between mid exponential phase and retardation phase" [] is_a: MCO:0000342 ! growth phase [Term] id: MCO:0000374 name: mid exponential phase def: "growth phase that is part of exponential phase and locates in the middle of the exponential phase" [] is_a: MCO:0000342 ! growth phase property_value: MCO:0000190 "mid log phase" xsd:string property_value: MCO:0000190 "mid-exponential phase" xsd:string [Term] id: MCO:0000375 name: mid to late exponential phase def: "is a growth phase that comprises mid exponential phase and late exponential phase" [] is_a: MCO:0000342 ! growth phase [Term] id: MCO:0000376 name: hydH knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of hydH gene has been disrupted" xsd:string [Term] id: MCO:0000377 name: leuO overexpression mutant def: "an overexpression mutant in which leuO is expressed at higher levels than in the wild type" [] xref: colombos:leuO.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000190 "leuO overexpression" xsd:string [Term] id: MCO:0000378 name: marR knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of marR gene has been disrupted" xsd:string [Term] id: MCO:0000379 name: marB knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of marB gene has been disrupted" xsd:string [Term] id: MCO:0000380 name: nrdA knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of nrdA gene has been disrupted" xsd:string [Term] id: MCO:0000381 name: nrdB knockout mutant is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000851 "a knockout mutant in which the function of nrdB gene has been disrupted" xsd:string [Term] id: MCO:0000383 name: genotype is_a: MCO:0000895 ! biological quality property_value: MCO:0000851 "a biological quality that inheres in specific organisms and that describes its total genetic content" xsd:string [Term] id: MCO:0000384 name: insertion sequence mutant is_a: MCO:0000045 ! transposable element mutant property_value: IAO:0000119 "adapted from\nISBN 0 87893 608 4" xsd:string property_value: MCO:0000851 "a transposable element mutant in which a DNA sequence has been added to the chromosome by means of an insertion sequence, which is a small transposable element (800-2000 bp) and encode only the ability to transpose" xsd:string [Term] id: MCO:0000385 name: transposon mutant is_a: MCO:0000045 ! transposable element mutant property_value: IAO:0000119 "adapted from\nISBN 0 87893 608 4" xsd:string property_value: MCO:0000851 "a transposable element mutant in which a DNA sequence has been added to the chromosome by means of a transposon, which are large transposable elements (more than 2000 bp) and encode a variety of enzymes in addition to those that catalyze transposition" xsd:string [Term] id: MCO:0000386 name: growth rate of 0.08 h-1 xref: colombos:GROWTH_RATE\:0.11-0.03h-1 is_a: OMP:0007156 ! growth rate phenotype disjoint_from: MCO:0000387 ! growth rate of 0.11 h-1 [Term] id: MCO:0000387 name: growth rate of 0.11 h-1 xref: colombos:GROWTH_RATE\:0.11h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000388 name: growth rate of 0.1 h-1 xref: colombos:GROWTH_RATE\:0.1h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000389 name: growth rate of 0.2 h-1 xref: colombos:GROWTH_RATE\:0.1+0.1h-1 xref: colombos:GROWTH_RATE\:0.2h-1 xref: colombos:GROWTH_RATE\:0.46-0.26h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000390 name: growth rate of 0.21 h-1 xref: colombos:GROWTH_RATE\:0.11+0.10h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000391 name: growth rate of 0.26 h-1 xref: colombos:GROWTH_RATE\:0.11+0.15h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000392 name: growth rate of 0.29 h-1 xref: colombos:GROWTH_RATE\:0.46-0.17h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000393 name: growth rate of 0.3 h-1 xref: colombos:GROWTH_RATE\:+0.3h-1 xref: colombos:GROWTH_RATE\:0.1+0.2h-1 xref: colombos:GROWTH_RATE\:0.2+0.1h-1 xref: colombos:GROWTH_RATE\:0.3h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000394 name: growth rate of 0.31 h-1 xref: colombos:GROWTH_RATE\:0.11+0.20h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000395 name: growth rate of 0.36 h-1 xref: colombos:GROWTH_RATE\:0.11+0.25h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000396 name: growth rate of 0.39 h-1 xref: colombos:GROWTH_RATE\:0.46-0.07h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000397 name: growth rate of 0.4 h-1 xref: colombos:GROWTH_RATE\:0.1+0.3h-1 xref: colombos:GROWTH_RATE\:0.11+0.29h-1 xref: colombos:GROWTH_RATE\:0.2+0.2h-1 xref: colombos:GROWTH_RATE\:0.4h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000398 name: growth rate of 0.46 h-1 xref: colombos:GROWTH_RATE\:0.46h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000399 name: growth rate of 0.48 h-1 xref: colombos:GROWTH_RATE\:0.11+0.37h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000400 name: growth rate of 0.6 h-1 xref: colombos:GROWTH_RATE\:0.1+0.5h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000401 name: growth rate of 0.7 h-1 xref: colombos:GROWTH_RATE\:0.1+0.6h-1 is_a: OMP:0007156 ! growth rate phenotype [Term] id: MCO:0000402 name: D82G variant of GyrA xref: colombos:gyrA_b2231.D82G_VARIANT is_a: MCO:0000051 ! gene variant mutant property_value: IAO:0000119 "PMID: 15535862" xsd:string property_value: MCO:0000190 "D82G susbtitution in GyrA" xsd:string property_value: MCO:0000851 "A variant mutant in which aspartic acid in position 82 of the GyrA protein is replaced by tryptophan. It is resistant to 0.8 μg/ml of norfloxacin and causes elevated levels of gyrA and gyrB mRNA in vivo and lowers supercoiling activity of DNA gyrase in vitro in E. coli K12 strain MG1655 obtained from the ATCC." xsd:string [Term] id: MCO:0000403 name: Hha13D6 variant of Hha xref: colombos:hha_b0460.13D6_VARIANT is_a: MCO:0000051 ! gene variant mutant property_value: IAO:0000119 "PMID: 21255366" xsd:string property_value: MCO:0000851 "a gene variant mutant that with four amino acid replacements at D22V, L40R, V42I and D48A. \n\nHha13D6 was engineered to enhance biofilm dispersal dramatically. Cells with Hha13D6 had enhanced biofilm dispersal at 24, 32 and 48 h, whereas wild-type Hha caused little dispersal after 24 h.\n\nHha13D6 induced acid resistance genes (gadABCEX and hdeABD) and several heat-shock genes including protease genes (clpB, hslOR, hslUV, htpG, ibpAB, lon, prlC and ycjF)" xsd:string [Term] id: MCO:0000404 name: Hha24E9 variant of Hha xref: colombos:hha_b0460.24E9_VARIANT is_a: MCO:0000051 ! gene variant mutant property_value: IAO:0000119 "PMID: 21255366" xsd:string property_value: MCO:0000851 "a gene variant mutant with one substitution: K62X.\n\nHha24E9 decreases biofilm formation fourfold compared with wild-type Hha in E. coli BW25113 hha. Hha24E9 reduces biofilm formation by inducing acid resistance, glycerol-3-phosphate metabolism and phosphonate metabolism." xsd:string [Term] id: MCO:0000405 name: 133 variant of FhlA xref: colombos:fhlA_b2731.133_VARIANT is_a: MCO:0000051 ! gene variant mutant property_value: IAO:0000119 PMID:19581479 xsd:string property_value: MCO:0000851 "a FhlA variant mutant with six amino acid replacements at Q11H, L14V, Y177F, K245R, M288K, and I342F. Created through random mutagenesis using error-prone PCR over the whole gene, as well as over the fhlA region encoding the first 388 amino acids of the 692-amino-acid protein. It was evolved to increase H2 production of E. coli JW2701-1(pVSC133). This is achieved by increasing transcription of all of the genes activated by FhlA (the FHL complex)." xsd:string [Term] id: MCO:0000406 name: K57N variant of H-NS xref: colombos:hns_b1237.K57N_VARIANT is_a: MCO:0000051 ! gene variant mutant property_value: IAO:0000119 PMID:21255333 xsd:string property_value: MCO:0000851 "a H-NS variant mutant with a single substitution at K57N. Created by error prone PCR.It was selected for 10 fold reduction of biofilm formation and observed that this is achieved through interaction with NAPs Cnu and StpA in E. coli BW25113. H-NS K57N enhanced the excision of defective E. coli prophage Rac." xsd:string [Term] id: MCO:0000407 name: 2-1 variant of MqsR xref: colombos:mqsR_b3022.2-1_VARIANT is_a: MCO:0000051 ! gene variant mutant property_value: IAO:0000119 PMID:22221537 xsd:string property_value: MCO:0000851 "a MqsR variant mutant that has two amino acid replacements at K3N and N31Y. Created through random mutagenesis by error prone PCR and confirmed by reduced cell growth in LB culture in shake flasks in of E. coli BW25113.This amino acid substitutions increase MqsR 2-1 stability without affecting its function, which results in increased toxicity relative to the wild type MqsR (part of the toxin antitoxin system MqsR/MqsA)" xsd:string [Term] id: MCO:0000408 name: kanamycin 30µg/mL xref: colombos:KANAMYCIN\:30µg/ml is_a: CHEBI:6104 ! kanamycin disjoint_from: MCO:0000409 ! kanamycin 5µg/mL [Term] id: MCO:0000409 name: kanamycin 5µg/mL xref: colombos:KANAMYCIN\:5µg/ml is_a: CHEBI:6104 ! kanamycin [Term] id: MCO:0000410 name: sodium benzoate 0.5% vol/vol xref: colombos:SODIUM_BENZOATE\:0+0.5%_vol/vol is_a: CHEBI:113455 ! sodium benzoate [Term] id: MCO:0000411 name: CORM 3 100 µM xref: colombos:CORM-3\:100uM is_a: CHEBI:137081 ! CORM 3 [Term] id: MCO:0000412 name: indole-3-acetic acid 0.5mM xref: colombos:IAA\:0.5mM is_a: CHEBI:16411 ! indole-3-acetic acid [Term] id: MCO:0000413 name: carbon dioxide 5% VOL xref: colombos:CO2\:5%VOL is_a: CHEBI:16526 ! carbon dioxide [Term] id: MCO:0000414 name: galactose 4 g/L xref: colombos:GALACTOSE\:4g/L is_a: CHEBI:28260 ! galactose [Term] id: MCO:0000415 name: lactose 0.15% xref: colombos:LACTOSE\:0.15% is_a: CHEBI:17716 ! lactose [Term] id: MCO:0000416 name: glycine betaine 1mM xref: colombos:GLYCINE_BETAINE\:1mM is_a: CHEBI:17750 ! glycine betaine [Term] id: MCO:0000417 name: gentamycin 5µg/mL xref: colombos:GENTAMICIN\:5µg/ml is_a: CHEBI:17833 ! gentamycin [Term] id: MCO:0000418 name: cefotaxime 0.13µg/ml xref: colombos:CEFOTAXIME\:0.13µg/ml is_a: CHEBI:204928 ! cefotaxime [Term] id: MCO:0000419 name: mevalonate 0.01 M xref: colombos:MEVALONATE\:0.01M is_a: CHEBI:25350 ! mevalonate disjoint_from: MCO:0000420 ! mevalonate 0.02 M [Term] id: MCO:0000420 name: mevalonate 0.02 M xref: colombos:MEVALONATE\:0.02M is_a: CHEBI:25350 ! mevalonate [Term] id: MCO:0000421 name: peroxynitrite 300 µM xref: colombos:PEROXYNITRITE\:300µM is_a: CHEBI:25941 ! peroxynitrite [Term] id: MCO:0000422 name: amoxicillin 1 μg/mL xref: colombos:AMOXICILLIN\:1μg/ml is_a: CHEBI:2676 ! amoxicillin [Term] id: MCO:0000423 name: glyphosate 0.2 M xref: colombos:GLYPHOSATE\:0.2M is_a: CHEBI:27744 ! glyphosate [Term] id: MCO:0000424 name: cisplatin 150 µM xref: colombos:CISPLATIN\:150uM is_a: CHEBI:27899 ! cisplatin [Term] id: MCO:0000425 name: dimethyl sulfoxide 1 µg/ml is_a: CHEBI:28262 ! dimethyl sulfoxide [Term] id: MCO:0000426 name: butan-1-ol 0.8% vol/vol xref: colombos:BUTANOL\:0.8volume_% is_a: CHEBI:28885 ! butan-1-ol disjoint_from: MCO:0000427 ! butan-1-ol 0.9% vol/vol [Term] id: MCO:0000427 name: butan-1-ol 0.9% vol/vol xref: colombos:BUTANOL\:0.9volume_% is_a: CHEBI:28885 ! butan-1-ol [Term] id: MCO:0000428 name: butan-1-ol 1% vol/vol xref: colombos:BUTANOL\:1volume_% is_a: CHEBI:28885 ! butan-1-ol [Term] id: MCO:0000429 name: isobutanol 0.5% vol/vol xref: colombos:ISOBUTANOL\:0.5%volume/vo is_a: CHEBI:46645 ! isobutanol disjoint_from: MCO:0000430 ! isobutanol 1% vol/vol [Term] id: MCO:0000430 name: isobutanol 1% vol/vol xref: colombos:ISOBUTANOL\:1%volume/vo is_a: CHEBI:46645 ! isobutanol [Term] id: MCO:0000431 name: azlocillin 10 μg/mL xref: colombos:AZLOCILLIN\:10μg/ml is_a: CHEBI:2956 ! azlocillin [Term] id: MCO:0000432 name: potassium cyanide 100 µM xref: colombos:KCN\:100µM is_a: CHEBI:33191 ! potassium cyanide [Term] id: MCO:0000433 name: cefsulodin 10 µg/mL xref: colombos:CEFSULODIN\:10µg/ml is_a: CHEBI:3507 ! cefsulodin disjoint_from: MCO:0000434 ! cefsulodin 60 µg/mL [Term] id: MCO:0000434 name: cefsulodin 60 µg/mL xref: colombos:CEFSULODIN\:60µg/ml is_a: CHEBI:3507 ! cefsulodin [Term] id: MCO:0000435 name: enrofloxacin 0.125 µg/ml xref: colombos:ENROFLOXACINE\:0.125µg/ml is_a: CHEBI:35720 ! enrofloxacin disjoint_from: MCO:0000436 ! enrofloxacin 128 µg/ml [Term] id: MCO:0000436 name: enrofloxacin 128 µg/ml xref: colombos:ENROFLOXACINE\:128µg/ml is_a: CHEBI:35720 ! enrofloxacin [Term] id: MCO:0000437 name: mannose 1% xref: colombos:MANOSE\:+1% xref: colombos:MANOSE\:1% is_a: CHEBI:37684 ! mannose [Term] id: MCO:0000438 name: erythromycin 0.075 g/L xref: colombos:ERYTHROMYCIN\:0.075_g/L is_a: CHEBI:48923 ! erythromycin [Term] id: MCO:0000439 name: mecillinam 0.03 µg/ml xref: colombos:MECILLINAM\:0.03µg/ml is_a: CHEBI:51208 ! mecillinam disjoint_from: MCO:0000440 ! mecillinam 0.3 µg/ml [Term] id: MCO:0000440 name: mecillinam 0.3 µg/ml xref: colombos:MECILLINAM\:0.3µg/ml is_a: CHEBI:51208 ! mecillinam [Term] id: MCO:0000441 name: bicozamycin 100 mcg/ml xref: colombos:BICYCLOMYCIN\:100mcg/ml is_a: CHEBI:60584 ! bicozamycin disjoint_from: MCO:0000442 ! bicozamycin 10 mcg/ml [Term] id: MCO:0000442 name: bicozamycin 10 mcg/ml xref: colombos:BICYCLOMYCIN\:10mcg/ml is_a: CHEBI:60584 ! bicozamycin [Term] id: MCO:0000443 name: bicozamycin 25 mcg/ml xref: colombos:BICYCLOMYCIN\:25mcg/ml is_a: CHEBI:60584 ! bicozamycin [Term] id: MCO:0000444 name: isopropyl beta-D-thiogalactopyranoside 1 mM xref: colombos:IPTG\:1mM is_a: CHEBI:61448 ! isopropyl beta-D-thiogalactopyranoside disjoint_from: MCO:0000445 ! isopropyl beta-D-thiogalactopyranoside 2 mM [Term] id: MCO:0000445 name: isopropyl beta-D-thiogalactopyranoside 2 mM xref: colombos:IPTG\:2mM is_a: CHEBI:61448 ! isopropyl beta-D-thiogalactopyranoside [Term] id: MCO:0000446 name: serine hydroxamate 0.5mg/ml xref: colombos:SHX\:0.5mg/ml is_a: CHEBI:75494 ! serine hydroxamate [Term] id: MCO:0000447 name: isopentenol 0.2% vol/vol xref: colombos:ISOPENTENOL\:0.2vol% is_a: CHEBI:77922 ! isopentenol [Term] id: MCO:0000448 name: ampicillin 20 µg/mL xref: colombos:AMPICILIN\:20µg/ml is_a: CHEBI:28971 ! ampicillin disjoint_from: MCO:0000449 ! ampicillin 5 µg/mL [Term] id: MCO:0000449 name: ampicillin 5 µg/mL xref: colombos:AMPICILIN\:5µg/ml is_a: CHEBI:28971 ! ampicillin [Term] id: MCO:0000450 name: hydrogen peroxide 0.01 mM xref: colombos:H2O2\:0.01mM is_a: CHEBI:16240 ! hydrogen peroxide [Term] id: MCO:0000451 name: nrdB overexpression mutant xref: colombos:nrdB_b2235.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which nrdB is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000452 name: umuD overexpression mutant xref: colombos:umuD_b1183.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which umuD is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000453 name: recA overexpression mutant xref: colombos:recA_b2699.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which recA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000454 name: cpxR overexpression mutant xref: colombos:cpxR_b3912.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which cpxR is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000455 name: nupC overexpression mutant xref: colombos:nupC_b2393.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which nupC is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000456 name: galF overexpression mutant xref: colombos:galF_b2042.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which galF is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000457 name: accA overexpression mutant xref: colombos:accA_b0185.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which accA is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000458 name: mcrB overexpression mutant xref: colombos:mcrB_b4346.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which mcrB is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000459 name: menC overexpression mutant xref: colombos:menC_b2261.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which menC is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000460 name: cspF overexpression mutant xref: colombos:cspF_b1558.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which cspF is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000461 name: dpiA overexpression mutant xref: colombos:dpiA_b0620.OVEREXPRESSION xref: colombos:dpiA_b0620.OVEREXPRESSIONx2 is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which dpiA is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000462 name: accC overexpression mutant xref: colombos:accC_b3256.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which accC is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000463 name: ruvA overexpression mutant xref: colombos:ruvA_b1861.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ruvA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000464 name: minD overexpression mutant xref: colombos:minD_b1175.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which minD is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000465 name: uspA overexpression mutant xref: colombos:uspA_b3495.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which uspA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000466 name: folA overexpression mutant xref: colombos:folA_b0048.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which folA is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000467 name: hlpA overexpression mutant xref: colombos:hlpA.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which hlpA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000468 name: xylR overexpression mutant xref: colombos:xylR.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which xylR is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000469 name: pyrC overexpression mutant xref: colombos:pyrC_b1062.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which pyrC is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000470 name: ghoS overexpression mutant xref: colombos:ghoS_b4128.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ghoS is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000471 name: ihfB overexpression mutant xref: colombos:ihfB_b0912.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ihfB is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000472 name: yebF overexpression mutant xref: colombos:yebF_b1847.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which yebF is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000473 name: fadR overexpression mutant xref: colombos:fadR_b1187.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which fadR is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000474 name: dinP overexpression mutant xref: colombos:dinP_b0231.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which dinP is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000475 name: nrdA overexpression mutant xref: colombos:nrdA_b2234.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which nrdA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000476 name: holD overexpression mutant xref: colombos:holD_b4372.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which holD is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000477 name: fklB overexpression mutant xref: colombos:fklB_b4207.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which fklB is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000478 name: rpoS overexpression mutant xref: colombos:rpoS_b2741.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which rpoS is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000479 name: mqsR overexpression mutant xref: colombos:mqsR_b3022.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which mqsR is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000480 name: gyrI overexpression mutant xref: colombos:gyrI_b2009.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which gyrI is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000481 name: greB overexpression mutant xref: colombos:greB_b3406.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which greB is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000482 name: mprA overexpression mutant def: "an overexpression mutant in which mprA is expressed at higher levels than the wild type" [] xref: colombos:emrR.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000190 "emrR overexpression mutant" xsd:string [Term] id: MCO:0000483 name: dinI overexpression mutant xref: colombos:dinI_b1061.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which dinI is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000484 name: relE overexpression mutant xref: colombos:relE_b1563.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which relE is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000485 name: mqsA overexpression mutant xref: colombos:mqsA_b3021.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which mqsA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000486 name: rpoH overexpression mutant xref: colombos:rpoH_b3461.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which rpoH is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000487 name: yoeB overexpression mutant xref: colombos:yoeB_b4539.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which yoeB is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000488 name: rimI overexpression mutant xref: colombos:rimI_b4373.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which rimI is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000489 name: gyrA overexpression mutant xref: colombos:gyrA_b2231.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which gyrA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000490 name: minE overexpression mutant xref: colombos:minE_b1174.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which minE is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000491 name: rstB overexpression mutant xref: colombos:rstB_b1609.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which rstB is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000492 name: mazF overexpression mutant xref: colombos:mazF_b2782.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which mazF is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000493 name: dnaN overexpression mutant xref: colombos:dnaN_b3701.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which dnaN is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000494 name: uvrA overexpression mutant xref: colombos:uvrA_b4058.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which uvrA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000495 name: dnaT overexpression mutant xref: colombos:dnaT_b4362.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which dnaT is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000496 name: ldrA overexpression mutant xref: colombos:ldrA_b4419.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ldrA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000497 name: ruvC overexpression mutant xref: colombos:ruvC_b1863.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ruvC is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000498 name: sulA overexpression mutant xref: colombos:sulA_b0958.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which sulA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000499 name: sdiA overexpression mutant xref: colombos:sdiA_b1916.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which sdiA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000500 name: gcvR overexpression mutant xref: colombos:gcvR_b2479.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which gcvR is expressed at higher levels than the wild type" xsd:string property_value: MCO:0000851 "an overexpression mutant in which higher levels of gcvR are produced" xsd:string [Term] id: MCO:0000501 name: dnaA overexpression mutant xref: colombos:dnaA_b3702.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which dnaA is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000502 name: hcaR overexpression mutant xref: colombos:hcaR_b2537.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which hcaR is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000503 name: murI overexpression mutant xref: colombos:murI_b3967.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which murI is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000504 name: bglJ overexpression mutant xref: colombos:bglJ.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which bglJ is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000505 name: accD overexpression mutant xref: colombos:accD_b2316.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which accD is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000506 name: yfjF overexpression mutant xref: colombos:yfjF_b2618.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which yfjF is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000507 name: rraA overexpression mutant xref: colombos:rraA_b3929.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which rraA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000508 name: menB overexpression mutant xref: colombos:menB_b2262.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which menB is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000509 name: hscA overexpression mutant xref: colombos:hscA_b2526.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which hscA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000510 name: accB overexpression mutant xref: colombos:accB_b3255.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which accB is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000511 name: zipA overexpression mutant xref: colombos:zipA_b2412.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which zipA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000512 name: crcB overexpression mutant xref: colombos:crcB_b0624.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which crcB is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000513 name: sbcB overexpression mutant xref: colombos:sbcB_b2011.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which sbcB is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000514 name: mcrC overexpression mutant xref: colombos:mcrC_b4345.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which mcrC is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000515 name: lexA overexpression mutant xref: colombos:lexA_b4043.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which lexA is expressed at higher levels than in the wild type" xsd:string [Term] id: MCO:0000516 name: bcp overexpression mutant xref: colombos:bcp_b2480.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which bcp is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000517 name: crp overexpression mutant xref: colombos:crp_b3357.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which crp is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000518 name: dam overexpression mutant xref: colombos:dam_b3387.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which dam is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000519 name: dinJ overexpression mutant xref: colombos:dinJ_b0226.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which dinJ is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000520 name: hydrogen peroxide 0.3mM xref: colombos:H2O2\:0.3mM is_a: CHEBI:16240 ! hydrogen peroxide [Term] id: MCO:0000521 name: era overexpression mutant xref: colombos:era_b2566.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which era is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000522 name: fis overexpression mutant xref: colombos:fis_b3261.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which fis is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000523 name: hha overexpression mutant xref: colombos:hha_b0460.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which hha is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000524 name: lon overexpression mutant xref: colombos:lon_b0439.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which lon is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000525 name: rsd overexpression mutant xref: colombos:rsd_b3995.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which rsd is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000526 name: ybjN overexpression mutant xref: colombos:ybjN-b0853.OVEREXPRESSION is_a: MCO:0000041 ! overexpression mutant property_value: MCO:0000851 "an overexpression mutant in which ybjN is expressed at higher levels than the wild type" xsd:string [Term] id: MCO:0000527 name: aceE knockout mutant xref: colombos:aceE_b0114.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000528 name: adiA knockout mutant xref: colombos:adiA_b4117.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000529 name: appY knockout mutant xref: colombos:appY_b0564.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000530 name: argR knockout mutant xref: colombos:argR_b3237.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000531 name: cadA knockout mutant xref: colombos:cadA_b4131.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000532 name: cadB knockout mutant xref: colombos:cadB_b4132.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000533 name: cnu knockout mutant xref: colombos:cnu_b1625.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000534 name: cpxA knockout mutant xref: colombos:cpxA_b3911.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000535 name: creB knockout mutant xref: colombos:creb_b4398.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000536 name: crl knockout mutant xref: colombos:crl_b0240.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000537 name: cueO knockout mutant xref: colombos:cueO_b0123.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000538 name: cysB knockout mutant xref: colombos:cysB_b1275.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000539 name: cysQ knockout mutant xref: colombos:cysQ_b4214.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000540 name: dam knockout mutant xref: colombos:dam_b3387.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000541 name: dksA knockout mutant xref: colombos:dksA_b0145.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000542 name: dnaJ knockout mutant xref: colombos:dnaJ_b0015.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000543 name: dppA knockout mutant xref: colombos:dppA_b3544.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000544 name: dppB knockout mutant xref: colombos:dppB_b3543.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000545 name: dppC knockout mutant xref: colombos:dppC_b3542.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000546 name: dppD knockout mutant xref: colombos:dppD_b3541.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000547 name: dppF knockout mutant xref: colombos:dppF_b3540.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000548 name: eno knockout mutant xref: colombos:eno_b2779.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000549 name: fis knockout mutant xref: colombos:fis_b3261.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000550 name: flhC knockout mutant xref: colombos:flhC_b1891.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000551 name: flhD knockout mutant xref: colombos:flhD_b1892.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000552 name: fur knockout mutant xref: colombos:fur_b0683.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000553 name: gadB knockout mutant xref: colombos:gadB_b1493.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000554 name: gadW knockout mutant xref: colombos:gadW_b3515.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000555 name: gadX knockout mutant xref: colombos:gadX_b3516.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000556 name: gcvP knockout mutant xref: colombos:gcvP_b2903.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000557 name: gcvT knockout mutant xref: colombos:gcvT_b2905.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000558 name: grxA knockout mutant xref: colombos:grxA_b0849.DELETION xref: colombos:gss_b2988.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000559 name: gss knockout mutant is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000560 name: hda knockout mutant xref: colombos:had_b2496.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000561 name: hcaR knockout mutant xref: colombos:hcaR_b2537.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000562 name: hdeA knockout mutant xref: colombos:hdeA_b3510.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000563 name: hdeB knockout mutant xref: colombos:hdeB_b3509.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000564 name: hfq knockout mutant xref: colombos:hfq_b4172.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000565 name: hha knockout mutant xref: colombos:hha_b0460.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000566 name: hmp knockout mutant xref: colombos:hmp_b2552.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000567 name: hns knockout mutant xref: colombos:hns_b1237.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000568 name: hslJ knockout mutant xref: colombos:hslJ_b1379.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000569 name: ihfA knockout mutant xref: colombos:ihfa_b1712.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000570 name: iscR knockout mutant xref: colombos:iscR_b2531.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000571 name: kdpE knockout mutant xref: colombos:kdpE_b0694.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000572 name: ldcC knockout mutant xref: colombos:ldcC_b0186.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000573 name: lexA knockout mutant xref: colombos:lexA3.DELETION xref: colombos:lexA_b4043.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000574 name: lon knockout mutant xref: colombos:lon_b0439.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000575 name: lsrK knockout mutant xref: colombos:lsrK_b1511.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000576 name: lsrR knockout mutant xref: colombos:lsrR_b1512.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000577 name: luxS knockout mutant xref: colombos:luxS_b2687.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000578 name: mazF knockout mutant xref: colombos:mazF_b2782.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000579 name: melR knockout mutant xref: colombos:melR_b4118.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000580 name: metJ knockout mutant xref: colombos:metJ_b3938.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000581 name: mgrR knockout mutant xref: colombos:mgrR_b4698.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000582 name: mnmE knockout mutant xref: colombos:mnmE_b3706.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000583 name: mntR knockout mutant xref: colombos:mntR_b0817.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000584 name: mqsR knockout mutant xref: colombos:mqsR_b3022.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000585 name: mutS knockout mutant xref: colombos:mutS_b2733.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000586 name: narP knockout mutant xref: colombos:narP_b2193.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000587 name: narX knockout mutant xref: colombos:narX_b1222.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000588 name: norR knockout mutant xref: colombos:norR_b2709.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000589 name: nusA knockout mutant xref: colombos:nusA_b3169.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000590 name: nusG knockout mutant xref: colombos:nusG_b3982.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000591 name: pgi knockout mutant xref: colombos:pgi_b4025.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000592 name: phoB knockout mutant xref: colombos:phoB_b0399.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000593 name: phoH knockout mutant xref: colombos:phoH_b1020.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000594 name: phoP knockout mutant xref: colombos:phoP_b1130.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000595 name: phoQ knockout mutant xref: colombos:phoQ_b1129.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000596 name: phoU knockout mutant xref: colombos:phoU_b3724.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000597 name: pnp knockout mutant xref: colombos:pnp_b3164.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000598 name: ppsA knockout mutant xref: colombos:ppsA_b1702.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000599 name: ptsN knockout mutant xref: colombos:ptsN_b3204.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000600 name: qor knockout mutant xref: colombos:qor_b4051.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000601 name: qseB knockout mutant xref: colombos:qseB_b3025.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000602 name: qseC knockout mutant xref: colombos:qseC_b3026.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000603 name: recA knockout mutant xref: colombos:recA_b2699.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000604 name: recE knockout mutant xref: colombos:recE_b1350.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000605 name: rhlB knockout mutant xref: colombos:rhlB_b3780.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000606 name: ribB knockout mutant xref: colombos:ribB_b3041.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000607 name: rne knockout mutant xref: colombos:rne_b1084.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000608 name: rng knockout mutant xref: colombos:rng_b3247.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000609 name: rpoN knockout mutant xref: colombos:rpoN_b3202.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000610 name: rraA knockout mutant xref: colombos:rraA_b3929.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000611 name: rseA knockout mutant xref: colombos:rseA_b2572.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000612 name: rutR knockout mutant xref: colombos:rutR_b1013.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000613 name: seqA knockout mutant xref: colombos:seqA_b0687.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000614 name: sgrR knockout mutant xref: colombos:sgrR_b0069.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000615 name: sgrS knockout mutant xref: colombos:sgrS_b4577.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000616 name: speA knockout mutant xref: colombos:speA_b2938.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000617 name: speB knockout mutant xref: colombos:speB_b2937.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000618 name: speC knockout mutant xref: colombos:speC_b2965.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000619 name: speD knockout mutant xref: colombos:speD_b0120.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000620 name: speE knockout mutant xref: colombos:speE_b0121.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000621 name: speF knockout mutant xref: colombos:speF_b0693.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000622 name: spy knockout mutant xref: colombos:spy_b1743.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000623 name: stpA knockout mutant xref: colombos:stpA_b2669.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000624 name: sucA knockout mutant xref: colombos:sucA_b0726.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000625 name: sucB knockout mutant xref: colombos:sucB_b0727.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000626 name: tnaA knockout mutant xref: colombos:tnaA_b3708.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000627 name: trpE knockout mutant xref: colombos:trpE_b1264.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000628 name: trpR knockout mutant xref: colombos:trpR_b4393.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000629 name: ubiE knockout mutant xref: colombos:ubiE_b3833.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000630 name: ycaD knockout mutant xref: colombos:ycaD_b0898.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000631 name: yceB knockout mutant xref: colombos:yceB_b1063.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000632 name: yceP knockout mutant xref: colombos:yceP_b1060.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000633 name: ycfR knockout mutant xref: colombos:ycfR_b1112.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000634 name: ychH knockout mutant xref: colombos:ychH_b1205.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000635 name: ydcR knockout mutant xref: colombos:ydcR_b1439.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000636 name: ygiN knockout mutant xref: colombos:ygiN_b3029.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000637 name: ygiW knockout mutant xref: colombos:ygiW_b3024.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000638 name: yjbJ knockout mutant xref: colombos:yjbJ_b4045.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000639 name: yjiR knockout mutant xref: colombos:yjiR_b4340.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000640 name: yliH knockout mutant xref: colombos:yliH_b0836.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000641 name: ymgB knockout mutant xref: colombos:ymgB_b1166.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000642 name: yncC knockout mutant xref: colombos:yncC_b1450.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000643 name: yqhC knockout mutant xref: colombos:yqhC-b3010.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000644 name: cobB knockout mutant xref: colombos:cobB-b1120.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000645 name: nsrR knockout mutant xref: colombos:nsrR-b4178.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000646 name: patZ knockout mutant xref: colombos:patZ-b2584.DELETION xref: colombos:pflB.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000647 name: mazE knockout mutant xref: colombos:mazE-b2783.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000648 name: bdcA knockout mutant xref: colombos:yjgI-b4249.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000190 "yjgI knockout mutant" xsd:string [Term] id: MCO:0000649 name: ybjN knockout mutant xref: colombos:ybjN-b0853.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000650 name: yjjP knockout mutant xref: colombos:yjjP.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000651 name: bglJ knockout mutant xref: colombos:bglJ.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000652 name: trpA knockout mutant xref: colombos:trpA.b1260.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000653 name: yjjQ knockout mutant xref: colombos:yjjQ.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000654 name: rcsB knockout mutant xref: colombos:rcsB.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000655 name: rimO knockout mutant xref: colombos:rimO.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000656 name: pflB knockout mutant is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000657 name: ycaO knockout mutant xref: colombos:ycaO.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000658 name: ldhA knockout mutant xref: colombos:ldhA.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000659 name: leuO knockout mutant xref: colombos:leuO.DELETION is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000660 name: tabA knockout mutant xref: colombos:yjgk.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000190 "yjgK knockout mutant" xsd:string [Term] id: MCO:0000661 name: glrR knockout mutant xref: colombos:qseF.DELETION is_a: MCO:0000042 ! knockout mutant property_value: MCO:0000190 "qseF knockout mutant" xsd:string [Term] id: MCO:0000662 name: human urine xref: colombos:MEDIUM.HOST_INDIVIDUAL xref: colombos:MEDIUM.HUMAN_URINE xref: colombos:MEDIUM.REAL_HUMAN is_a: UBERON:0001088 ! urine [Term] id: MCO:0000663 name: MOPS rich medium xref: colombos:MEDIUM.MOPS_RICH is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000867 NCBITaxon:83333 ! experimental process Escherichia coli K-12 [Term] id: MCO:0000664 name: ammonia fiber expansion corn stover hydrolysate def: "a hydrolysate prepared from corn stover pretreated by ammonia fiber expansion" [] xref: colombos:MEDIUM.ACSH xref: colombos:MEDIUM.ACSH\:+1 is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000867 NCBITaxon:83333 ! experimental process Escherichia coli K-12 property_value: IAO:0000119 "PMID: 22389370" xsd:string property_value: MCO:0000190 "ACSH" xsd:string property_value: MCO:0000190 "Ammonia fiber expansion (AFEX) corn stover hydrolysate (ACSH)" xsd:string property_value: MCO:0000190 "ammonia-pretreated corn stover hydrolysate" xsd:string [Term] id: MCO:0000665 name: hydrogen peroxide 1 mM xref: colombos:H2O2\:+1mM xref: colombos:H2O2\:1mM is_a: CHEBI:16240 ! hydrogen peroxide [Term] id: MCO:0000666 name: synH medium def: "an artificial medium with a defined chemical composition designed to mimic AFEX-pretreated corn stover hydrolysate (ACSH)" [] xref: colombos:MEDIUM.SynH is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000867 NCBITaxon:83333 ! experimental process Escherichia coli K-12 property_value: IAO:0000119 "PMID: 25177315" xsd:string property_value: MCO:0000094 "Water (∼700 ml) \n6.25 ml of 1.6 M KPO4 buffer \npH 7.2\n20 ml of 1.5 M ammonium sulfate\n20 ml of 2.25 M KCl\n1.25 M NaCl\n20 ml of a 50X amino acid stock (except tyrosine)\n20 ml of 8.75 mM tyrosine dissolved in 50 mM HCl\n50 ml of 1 mM each adenine, guanine, cytosine and uracil dissolved in 10 mM KOH\n10 ml of vitamin stock (1 mM each thiamine, calcium pantothenate, p-aminobenzoic acid, p- hydroxybenzoic acid, and 2,3-dihydroxybenzoic acid)\n1 ml of a 1000X stock of micronutrients (ZnCl2 , MnCl2 , CuCl2 , CoCl2 , H3 BO3 , (NH4 )6 Mo7 O24 , and FeCl3 )\n1 ml of 1 M magnesium chloride\n1ml of 90mM CaCl2\n10ml of 1M sodium formate\n10mM sodium nitrate\n50 mM sodium succinate\n1 ml of 3 M glycerol\n1 ml of 500 mM lactic acid\n1 ml of 700 mM glycine betaine\n700 mM choline chloride\n200 mM DL-carnitine (osmolytes)\n5.61 g acetamide\n2.71 g sodium acetate\n3.3 g sodium pyruvate\n2.94 g sodium citrate\n1.34 g DL-malic acid\n60 g D-glucose\n30 g D-xylose\n5.1 g D-arabinose\n1.48 g D-fructose\n1.15 g D- galactose\n468 mg D-mannose\nAfter adjusting to pH 7 with 10 N NaOH, the final volume is adjusted to 1L." xsd:string property_value: MCO:0000190 "synthetic hydrolisate" xsd:string [Term] id: MCO:0000667 name: lignotoxins medium def: "an artificial medium made up of inhibitory compounds that are lignin derivatives resulting from pretreatment and enzymatic hydrolysis of lignocellulose (lignotoxins)" [] xref: colombos:MEDIUM.LT is_a: MICRO:0000067 ! microbiological culture medium property_value: IAO:0000119 "PMID: 25177315\nPMID: 22389370" xsd:string property_value: MCO:0000094 "531 mg feruloyl amide\n448 mg coumaroyl amide\n173 mg p-coumaric acid\n69 mg ferulic acid\n69 mg hydroxymethylfurfural\n59 mg benzoic acid\n15 mg syringic acid\n14 mg cinnamic acid\n15 mg vanillic acid\n2 mg caffeic acid\n20 mg vanillin\n30 mg syringaldehyde\n24 mg 4-hydroxybenzaldehyde\n3.4 mg 4-hydroxybenzophenone" xsd:string property_value: MCO:0000190 "aromatic inhibitors medium" xsd:string property_value: MCO:0000190 "LC-derived inhibitors medium" xsd:string property_value: MCO:0000190 "lignocellulose toxins medium" xsd:string property_value: MCO:0000190 "lignocellulose-derived inhibitors medium" xsd:string [Term] id: MCO:0000668 name: osmoprotectants medium xref: colombos:MEDIUM.OSMOPROTECTANTS is_a: MICRO:0000067 ! microbiological culture medium property_value: IAO:0000119 "PMID: 25177315" xsd:string property_value: MCO:0000190 "an artificial medium made up of compounds that protect against osmotic stress (e.g., glycine betaine, choline chloride, and DL-carnitine)" xsd:string property_value: MCO:0000190 "osmolytes medium" xsd:string [Term] id: MCO:0000669 name: OD536 def: "an optical density that specifies the amount of light of 536 nm of wavelenght the bearer is able to transmit" [] xref: colombos:OD536 is_a: MCO:0000077 ! optical density [Term] id: MCO:0000670 name: OD536 of 0.1 xref: colombos:OD536\:0.1 is_a: MCO:0000669 ! OD536 [Term] id: MCO:0000671 name: OD550 def: "an optical density that specifies the amount of light of 550 nm of wavelenght the bearer is able to transmit" [] xref: colombos:OD550 is_a: MCO:0000077 ! optical density [Term] id: MCO:0000672 name: OD600 of 0.03 xref: colombos:OD600\:0.03 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000673 name: OD600 of 0.05 xref: colombos:OD600\:0.05 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000674 name: OD600 of 0.1 xref: colombos:OD600\:0.1 xref: colombos:OD600\:0.5-0.4 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000675 name: OD600 of 0.15 xref: colombos:OD600\:0.15 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000676 name: OD600 of 0.2 xref: colombos:OD600\:0.2 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000677 name: OD600 of 0.35 xref: colombos:OD600\:0.35 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000678 name: OD600 of 0.6 xref: colombos:OD600\:0.5+0.1 xref: colombos:OD600\:0.6 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000679 name: OD600 of 0.7 xref: colombos:OD600\:0.7 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000680 name: OD600 of 0.8 xref: colombos:OD600\:0.8 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000681 name: OD600 of 0.9 xref: colombos:OD600\:0.9 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000682 name: OD600 of 0.95 xref: colombos:OD600\:0.95 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000683 name: OD600 of 1.0 xref: colombos:OD600\:0.5+0.5 xref: colombos:OD600\:1.0 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000684 name: OD600 of 1.1 xref: colombos:OD600\:1.1 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000685 name: OD600 of 1.6 xref: colombos:OD600\:1.6 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000686 name: OD600 of 1.7 xref: colombos:OD600\:0.5+1.2 xref: colombos:OD600\:1.7 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000687 name: OD600 of 10 xref: colombos:OD600\:10 xref: colombos:OD600\:4+6 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000688 name: OD600 of 15 xref: colombos:OD600\:15 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000689 name: OD600 of 2 xref: colombos:OD600\:2 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000690 name: OD600 of 2.4 xref: colombos:OD600\:2.4 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000691 name: OD600 of 4 xref: colombos:OD600\:4 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000692 name: OD600 of 1.3 xref: colombos:OD600\:0.5+0.8 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000693 name: OD600 of 2.7 xref: colombos:OD600\:0.5+2.2 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000694 name: OD600 of 4.5 xref: colombos:OD600\:0.5+4.0 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000695 name: OD600 of 4.7 xref: colombos:OD600\:0.5+4.2 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000696 name: OD600 of 4.8 xref: colombos:OD600\:0.5+4.3 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000697 name: 20.0 C xref: colombos:TEMPERATURE\:20°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000698 name: 25.0 C xref: colombos:TEMPERATURE\:25°C xref: colombos:TEMPERATURE\:37-12°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000699 name: 26.0 C xref: colombos:TEMPERATURE\:26°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000700 name: 33.0 C xref: colombos:TEMPERATURE\:33°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000701 name: 34.0 C xref: colombos:TEMPERATURE\:34°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000702 name: 35.7 C xref: colombos:TEMPERATURE\:35.7°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000703 name: 23.0 C xref: colombos:TEMPERATURE\:30-7°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000704 name: 16.0 C xref: colombos:TEMPERATURE\:37-21°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000705 name: 15.0 C xref: colombos:TEMPERATURE\:37-22°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000706 name: hydrogen peroxide 2mM xref: colombos:H2O2\:2mM is_a: CHEBI:16240 ! hydrogen peroxide [Term] id: MCO:0000707 name: 43.0 C xref: colombos:TEMPERATURE\:30+13°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000708 name: 50.0 C xref: colombos:TEMPERATURE\:37+13°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000709 name: 58.0 C xref: colombos:TEMPERATURE\:37+21°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000710 name: 60.0 C xref: colombos:TEMPERATURE\:37+23°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000711 name: 71.0 C xref: colombos:TEMPERATURE\:37+34°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000712 name: 42.0 C xref: colombos:TEMPERATURE\:30+12°C xref: colombos:TEMPERATURE\:37+5°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000713 name: 45.0 C xref: colombos:TEMPERATURE\:37+8°C is_a: PATO:0000146 ! temperature [Term] id: MCO:0000714 name: pH 5.5 xref: colombos:pH\:5.5 xref: colombos:pH\:7-1.5 is_a: ZECO:0000201 ! acidic [Term] id: MCO:0000715 name: pH 4.5 xref: colombos:pH\:7-2.5 is_a: ZECO:0000201 ! acidic [Term] id: MCO:0000716 name: pH 5.7 xref: colombos:pH\:5.3+0.4 xref: colombos:pH\:7-1.3 is_a: ZECO:0000201 ! acidic [Term] id: MCO:0000717 name: pH 8.5 xref: colombos:pH\:7+1.5 is_a: ZECO:0000202 ! basic [Term] id: MCO:0000718 name: pH 8.7 xref: colombos:pH\:5+3.7 is_a: ZECO:0000202 ! basic [Term] id: MCO:0000719 name: pH 11.8 xref: colombos:pH\:7+4.8 is_a: ZECO:0000202 ! basic [Term] id: MCO:0000720 name: pH 3.5 xref: colombos:pH\:3.5 is_a: ZECO:0000201 ! acidic [Term] id: MCO:0000721 name: pH 5.3 xref: colombos:pH\:5.3 is_a: ZECO:0000201 ! acidic [Term] id: MCO:0000722 name: pH 7.4 xref: colombos:pH\:7.4 is_a: ZECO:0000202 ! basic [Term] id: MCO:0000723 name: hydrogen peroxide 5.88mM xref: colombos:H2O2\:5.88mM is_a: CHEBI:16240 ! hydrogen peroxide [Term] id: MCO:0000724 name: hydrogen peroxide 10mM xref: colombos:H2O2\:10mM is_a: CHEBI:16240 ! hydrogen peroxide [Term] id: MCO:0000725 name: hydrogen peroxide 20mM xref: colombos:H2O2\:20mM is_a: CHEBI:16240 ! hydrogen peroxide [Term] id: MCO:0000726 name: hydrogen peroxide 30mM xref: colombos:H2O2\:30mM is_a: CHEBI:16240 ! hydrogen peroxide [Term] id: MCO:0000727 name: N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine 10 µM xref: colombos:TPEN\:10µM is_a: CHEBI:88217 ! N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine [Term] id: MCO:0000728 name: pyruvate 2 g/L xref: colombos:PYRUVATE\:2g/L is_a: CHEBI:15361 ! pyruvate [Term] id: MCO:0000729 name: acetate 2 g/L xref: colombos:ACETATE\:2_g/L is_a: CHEBI:30089 ! acetate [Term] id: MCO:0000730 name: alanine 2 g/L xref: colombos:ALANINE\:2_g/L is_a: CHEBI:16449 ! alanine [Term] id: MCO:0000731 name: autoinducer-2 0.1 mM xref: colombos:AUTO_INDUCER_2\:0.1mM is_a: CHEBI:40646 ! autoinducer-2 [Term] id: MCO:0000732 name: benzalconium chloride 50 ppm xref: colombos:BENZALKONIUM_CHLORIDE\:50ppm is_a: CHEBI:3020 ! benzalkonium chloride [Term] id: MCO:0000733 name: CCCP 800 µM xref: colombos:CCCP\:800µM is_a: CHEBI:3259 ! CCCP [Term] id: MCO:0000734 name: ethanol 1.5% vol/vol xref: colombos:ETHANOL\:1.5%_volume/v is_a: CHEBI:16236 ! ethanol disjoint_from: MCO:0000735 ! ethanol 15% vol/vol [Term] id: MCO:0000735 name: ethanol 15% vol/vol xref: colombos:ETHANOL\:15%_volume/v is_a: CHEBI:16236 ! ethanol [Term] id: MCO:0000736 name: ethanol 2% vol/vol xref: colombos:ETHANOL\:2%_volume/v is_a: CHEBI:16236 ! ethanol [Term] id: MCO:0000737 name: ethanol 20% vol/vol xref: colombos:ETHANOL\:20%_volume/v is_a: CHEBI:16236 ! ethanol [Term] id: MCO:0000738 name: ethanol 3% vol/vol xref: colombos:ETHANOL\:3%_volume/v is_a: CHEBI:16236 ! ethanol [Term] id: MCO:0000739 name: ethanol 4% vol/vol xref: colombos:ETHANOL\:4%_volume/v is_a: CHEBI:16236 ! ethanol [Term] id: MCO:0000740 name: formate 0.02 M xref: colombos:FORMATE\:0.02M is_a: CHEBI:15740 ! formate [Term] id: MCO:0000741 name: iron(2+) sulfate (anhydrous) 50 µM xref: colombos:FeSO4\:50uM is_a: CHEBI:75832 ! iron(2+) sulfate (anhydrous) [Term] id: MCO:0000743 name: glucose 8.8 g/L xref: colombos:GLUCOSE\:8.8_g/L is_a: CHEBI:17234 ! glucose [Term] id: MCO:0000744 name: glycerol 0.001 g/L xref: colombos:GLYCEROL\:0.001g/L is_a: CHEBI:17754 ! glycerol [Term] id: MCO:0000745 name: glycerol 0.1 g/L xref: colombos:GLYCEROL\:+0.1g/L is_a: CHEBI:17754 ! glycerol [Term] id: MCO:0000746 name: glycerol 0.4 g/L xref: colombos:GLYCEROL\:+4_g/Lg/L xref: colombos:GLYCEROL\:0.4g/L xref: colombos:GLYCEROL\:4g/L is_a: CHEBI:17754 ! glycerol [Term] id: MCO:0000747 name: glycerol 0.68 g/L xref: colombos:GLYCEROL\:0.68g/L is_a: CHEBI:17754 ! glycerol [Term] id: MCO:0000748 name: glycerol 1 g/L xref: colombos:GLYCEROL\:+1g/L is_a: CHEBI:17754 ! glycerol [Term] id: MCO:0000749 name: glycerol 2 g/L xref: colombos:GLYCEROL\:2g/L is_a: CHEBI:17754 ! glycerol [Term] id: MCO:0000750 name: glycerol 4 g/L is_a: CHEBI:17754 ! glycerol [Term] id: MCO:0000751 name: indole 0.1mM is_a: CHEBI:35581 ! indole disjoint_from: MCO:0000752 ! indole 0.5M [Term] id: MCO:0000752 name: indole 0.5M xref: colombos:INDOLE\:0.5M is_a: CHEBI:35581 ! indole [Term] id: MCO:0000753 name: indole 1 mM xref: colombos:INDOLE\:0.1mM xref: colombos:INDOLE\:1mM is_a: CHEBI:35581 ! indole [Term] id: MCO:0000754 name: mitomycin C 0.3 µM xref: colombos:MMC\:0.3µg/ml is_a: CHEBI:27504 ! mitomycin C [Term] id: MCO:0000755 name: manganese(II) chloride 0.00001 M xref: colombos:MnCl2\:0.00001M is_a: CHEBI:63041 ! manganese(II) chloride [Term] id: MCO:0000756 name: nalidixic acid 10µg/ml xref: colombos:NALIDIXIC_ACID\:10µg/ml is_a: CHEBI:100147 ! nalidixic acid [Term] id: MCO:0000757 name: nalidixic acid 100µg/ml xref: colombos:NALIDIXIC_ACID\:100µg/ml is_a: CHEBI:100147 ! nalidixic acid [Term] id: MCO:0000758 name: nalidixic acid 2 µg/ml xref: colombos:NALIDIXIC_ACID\:2µg/ml is_a: CHEBI:100147 ! nalidixic acid [Term] id: MCO:0000759 name: nitrate 0.01 M xref: colombos:NITRATE\:0.01M is_a: CHEBI:17632 ! nitrate [Term] id: MCO:0000760 name: nitrate 0.02 M xref: colombos:NITRATE\:0.02M is_a: CHEBI:17632 ! nitrate [Term] id: MCO:0000761 name: norfloxacin 0.025 µg/ml xref: colombos:NORFLOXACIN\:0.025µg/ml is_a: CHEBI:100246 ! norfloxacin disjoint_from: MCO:0000762 ! norfloxacin 0.05 µg/ml [Term] id: MCO:0000762 name: norfloxacin 0.05 µg/ml xref: colombos:NORFLOXACIN\:0.050µg/ml is_a: CHEBI:100246 ! norfloxacin [Term] id: MCO:0000763 name: norfloxacin 0.075 µg/ml xref: colombos:NORFLOXACIN\:0.075µg/ml is_a: CHEBI:100246 ! norfloxacin [Term] id: MCO:0000764 name: norfloxacin 1 µg/mL xref: colombos:NORFLOXACIN\:1.000µg/ml is_a: CHEBI:100246 ! norfloxacin [Term] id: MCO:0000765 name: norfloxacin 2.5 µg/ml xref: colombos:NORFLOXACIN\:2.5µg/ml is_a: CHEBI:100246 ! norfloxacin [Term] id: MCO:0000766 name: sodium chloride 0.3 M xref: colombos:NaCl\:0.3M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000767 name: sodium chloride 0.55 M xref: colombos:NaCl\:0.55M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000768 name: sodium chloride 1 M xref: colombos:NaCl\:1M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000769 name: sodium chloride 1.37 M xref: colombos:NaCl\:1.37M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000770 name: sodium chloride 2 M xref: colombos:NaCl\:2M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000771 name: sodium chloride 3.5 M xref: colombos:NaCl\:2+1.5M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000772 name: sodium chloride 4 M xref: colombos:NaCl\:4M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000773 name: sodium chloride 4.5 M xref: colombos:NaCl\:2+2.5M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000774 name: sodium chloride 5.5 M xref: colombos:NaCl\:2+3.5M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000775 name: sodium chloride 5 M xref: colombos:NaCl\:2+3M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000776 name: sodium chloride 10 M xref: colombos:NaCl\:10M is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000777 name: octanoic acid 10 mM xref: colombos:OCTANOIC_ACID\:10mM is_a: CHEBI:28837 ! octanoic acid [Term] id: MCO:0000778 name: pantothenic acid 1mg/L xref: colombos:PANTOTHENIC_ACID\:1mg/L is_a: CHEBI:7916 ! pantothenic acid [Term] id: MCO:0000779 name: sucrose 1250 mM xref: colombos:SUCROSE\:1250mM is_a: CHEBI:17992 ! sucrose [Term] id: MCO:0000780 name: tellurite 0.05 µg/ml xref: colombos:TELLURITE\:0.05µg/ml is_a: CHEBI:30477 ! tellurite disjoint_from: MCO:0000781 ! tellurite 16 µgml [Term] id: MCO:0000781 name: tellurite 16 µgml xref: colombos:TELLURITE\:0.5µg/ml is_a: CHEBI:30477 ! tellurite [Term] id: MCO:0000782 name: tetracycline 16 µg/mL xref: colombos:TETRACYCLINE\:16µg/ml is_a: CHEBI:27902 ! tetracycline [Term] id: MCO:0000783 name: tetracycline 0.25 µg/mL xref: colombos:TETRACYCLINE\:0.25µg/ml is_a: CHEBI:27902 ! tetracycline [Term] id: MCO:0000784 name: iron dichloride 0.1 mM is_a: CHEBI:30812 ! iron dichloride [Term] id: MCO:0000785 name: titanium dioxide nanoparticle 100 mg/L xref: colombos:NANOPARTICLES.TiO2\:100mg/l is_a: CHEBI:51050 ! titanium dioxide nanoparticle [Term] id: MCO:0000786 name: bicozamycin 20 µg/mL is_a: CHEBI:60584 ! bicozamycin property_value: MCO:0000190 "bicyclomycin 20 µg/mL" xsd:string [Term] id: MCO:0000787 name: L-arginine 1 g/L is_a: CHEBI:16467 ! L-arginine [Term] id: MCO:0000788 name: ammonium chloride 0.1% is_a: CHEBI:31206 ! ammonium chloride [Term] id: MCO:0000789 name: leucine 10 mM is_a: CHEBI:25017 ! leucine [Term] id: MCO:0000790 name: ompR knockout mutant is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000791 name: epitope tagged variant mutant is_a: MCO:0000051 ! gene variant mutant [Term] id: MCO:0000792 name: fur-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000793 name: 8myc tagged variant mutant is_a: MCO:0000791 ! epitope tagged variant mutant [Term] id: MCO:0000794 name: chebi_requests comment: this is a temporal class used to keep terms that we have to request from chebi is_a: CHEBI:24431 ! chemical entity [Term] id: MCO:0000811 name: arcA-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000812 name: argR-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000813 name: fis-3xflag is_a: MCO:0000830 ! 3xflag tagged variant mutant [Term] id: MCO:0000814 name: fnr-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000815 name: fnr-3xflag is_a: MCO:0000830 ! 3xflag tagged variant mutant [Term] id: MCO:0000816 name: gadE-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000817 name: gadW-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000818 name: gadX-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000819 name: hns-3xflag is_a: MCO:0000830 ! 3xflag tagged variant mutant [Term] id: MCO:0000820 name: lrp-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000821 name: nsrR-3xflag is_a: MCO:0000830 ! 3xflag tagged variant mutant [Term] id: MCO:0000822 name: ompR-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000823 name: oxyR-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000824 name: sirA-flag is_a: MCO:0000829 ! flag tagged variant mutant [Term] id: MCO:0000825 name: soxR-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000826 name: soxS-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000827 name: trpR-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000828 name: uvrY-flag is_a: MCO:0000829 ! flag tagged variant mutant [Term] id: MCO:0000829 name: flag tagged variant mutant is_a: MCO:0000791 ! epitope tagged variant mutant [Term] id: MCO:0000830 name: 3xflag tagged variant mutant is_a: MCO:0000791 ! epitope tagged variant mutant [Term] id: MCO:0000831 name: gadE knockout mutant is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000832 name: ompR knockout mutant is_a: MCO:0000042 ! knockout mutant [Term] id: MCO:0000833 name: plasmid PK8263 (16 µM IPTG-induced fnr) is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000834 name: plasmid PK8263 (8 µM IPTG-induced fnr) is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000835 name: plasmid PK8263 (4 µM IPTG-induced fnr) is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000836 name: W2 minimal medium is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000866 NCBITaxon:83333 ! treatment Escherichia coli K-12 [Term] id: MCO:0000837 name: OD600 from 0.3 to 0.6 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000838 name: OD600 from 0.3 to 0.7 is_a: MCO:0000059 ! OD600 [Term] id: MCO:0000839 name: OD650 from 0.3 to 0.4 is_a: MCO:0000069 ! OD650 [Term] id: MCO:0000840 name: OD650 from 0.3 to 0.5 is_a: MCO:0000069 ! OD650 [Term] id: MCO:0000841 name: OD650 from 0.3 to 0.6 is_a: MCO:0000069 ! OD650 [Term] id: MCO:0000842 name: adenine 100 mg/L is_a: CHEBI:16708 ! adenine [Term] id: MCO:0000843 name: 70% N2, 5% CO2, and O2 25% is_a: MCO:0000078 ! aeration [Term] id: MCO:0000844 name: arginine 1 g/L is_a: CHEBI:29016 ! arginine [Term] id: MCO:0000845 name: glutamine 2 g/L is_a: CHEBI:28300 ! glutamine [Term] id: MCO:0000846 name: sodium chloride 0.5% is_a: CHEBI:26710 ! sodium chloride [Term] id: MCO:0000847 name: salicylic acid 5 µM is_a: CHEBI:16914 ! salicylic acid [Term] id: MCO:0000848 name: tryptophan 20 mg/L is_a: CHEBI:27897 ! tryptophan [Term] id: MCO:0000849 name: N2 95% and CO2 5% is_a: MCO:0000078 ! aeration [Term] id: MCO:0000850 name: isopropyl beta-D-thiogalactopyranoside 5 µM is_a: CHEBI:61448 ! isopropyl beta-D-thiogalactopyranoside [Term] id: MCO:0000852 name: Escherichia coli P4X is_a: NCBITaxon:562 ! Escherichia coli [Term] id: MCO:0000853 name: L-arginine 100 µg/ml is_a: CHEBI:16467 ! L-arginine [Term] id: MCO:0000854 name: L-methionine 100 µg/ml is_a: CHEBI:16643 ! L-methionine [Term] id: MCO:0000855 name: plasmid pT7-FLAG-4 (IPTG-induced csiR) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000856 name: plasmid pT7-FLAG-4 (IPTG-induced nac) mutant is_a: MCO:0000058 ! unicopy harbored plasmid mutant [Term] id: MCO:0000857 name: potassium nitrate 20 mM is_a: CHEBI:63043 ! potassium nitrate [Term] id: MCO:0000858 name: sucrose 15% is_a: CHEBI:17992 ! sucrose [Term] id: MCO:0000861 name: zinc depletion is_a: MCO:0000176 ! nutrient limitation treatment [Term] id: MCO:0000864 name: carbon source is_a: CHEBI:52211 ! physiological role [Term] id: MCO:0000865 name: nitrogen source is_a: CHEBI:52211 ! physiological role [Term] id: MCO:0000866 name: treatment def: "A process in which the act is intended to modify or alter some other material entity," [] is_a: MCO:0000867 ! experimental process property_value: external_ontology http://www.ebi.ac.uk/efo/EFO_0000727 xsd:string [Term] id: MCO:0000867 name: experimental process def: "A process performed as part of an experiment or wider study, i.e. intentionally designed." [] is_a: BFO:0000015 ! process property_value: external_ontology http://www.ebi.ac.uk/efo/EFO_0002694 xsd:string property_value: IAO:0000118 "Experiment" xsd:string [Term] id: MCO:0000868 name: OD660 is_a: MCO:0000077 ! optical density [Term] id: MCO:0000869 name: OD660 of 0.5 is_a: MCO:0000868 ! OD660 [Term] id: MCO:0000870 name: acetate 0.2% is_a: CHEBI:30089 ! acetate [Term] id: MCO:0000871 name: cra-8myc is_a: MCO:0000793 ! 8myc tagged variant mutant [Term] id: MCO:0000872 name: fructose 0.2% is_a: CHEBI:28757 ! fructose [Term] id: MCO:0000873 name: rifampicin 150 mg/ml is_a: CHEBI:28077 ! rifampicin [Term] id: MCO:0000875 name: arginine 2 g/L is_a: CHEBI:29016 ! arginine [Term] id: MCO:0000876 name: paraquat 250 µM is_a: CHEBI:34905 ! paraquat property_value: MCO:0000190 "250 uM paraquat (PQ)" xsd:string [Term] id: MCO:0000877 name: rifampicin 50 µM is_a: CHEBI:28077 ! rifampicin property_value: MCO:0000190 "rifampicin 50 uM" xsd:string [Term] id: MCO:0000878 name: OD600 from 0.27 to 0.33 is_a: MCO:0000059 ! OD600 property_value: MCO:0000190 "OD600 = 0.3 ± 0.03" xsd:string property_value: MCO:0000190 "OD600 of 0.3 ± 0.03" xsd:string [Term] id: MCO:0000879 name: OD650 from 0.3 to 0.6 is_a: MCO:0000069 ! OD650 property_value: MCO:0000190 "OD650 = 0.3-0.6" xsd:string [Term] id: MCO:0000880 name: 500 ml flask is_a: NCIT:C96144 ! flask property_value: MCO:0000190 "500-ml flask" xsd:string [Term] id: MCO:0000881 name: minimal defined medium def: "a defined microbiological culture medium that provides the minimum requirements (e.g., inorganic salts, but no amino acids) needed for growth of a particular bacterium or cell." [] is_a: MICRO:0000068 ! defined microbiological culture medium property_value: IAO:0000119 "adapted from \nhttps://medical-dictionary.thefreedictionary.com/minimal+medium" xsd:string property_value: MCO:0000190 "minimal medium" xsd:string property_value: MCO:0000190 "MM" xsd:string [Term] id: MCO:0000882 name: rich medium def: "Nutrient media contain all the elements that most bacteria need for growth and are non-selective, so they are used for the general cultivation and maintenance of bacteria kept in laboratory culture collections" [] is_a: MICRO:0000067 ! microbiological culture medium property_value: IAO:0000119 https://en.wikipedia.org/wiki/Growth_medium xsd:string property_value: MCO:0000190 "nutrient medium" xsd:string [Term] id: MCO:0000883 name: agitation def: "moving back and forth or with an irregular, rapid, or violent action" [] is_a: OBI:0000094 ! material processing property_value: IAO:0000119 https://www.merriam-webster.com/dictionary/agitation xsd:string [Term] id: MCO:0000884 name: agitation at 250 rpm is_a: MCO:0000883 ! agitation property_value: MCO:0000190 "250 rpm" xsd:string [Term] id: MCO:0000885 name: agitation for 20 min is_a: MCO:0000883 ! agitation [Term] id: MCO:0000886 name: agitation for 30 min is_a: MCO:0000883 ! agitation [Term] id: MCO:0000894 name: biological entity def: "A biological entity is a heterogeneous substance that contains genomic material or is the product of a biological process." [] is_a: BFO:0000030 ! object property_value: external_ontology http://semanticscience.org/resource/SIO_010046 xsd:string property_value: isDefinedBy http://semanticscience.org/ontology/sio.owl [Term] id: MCO:0000895 name: biological quality def: "A biological quality is a quality held by a biological entity." [] is_a: BFO:0000019 ! quality property_value: external_ontology http://semanticscience.org/resource/SIO_000475 xsd:string property_value: isDefinedBy http://semanticscience.org/ontology/sio.owl [Term] id: MICRO:0000067 name: microbiological culture medium synonym: "culture media" BROAD [] synonym: "growth media" BROAD [] synonym: "growth medium" BROAD [] synonym: "media" BROAD [] synonym: "medium" BROAD [] is_a: MCO:0000015 ! artificial medium property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A culture medium used to select for, grow, and maintain prokaryotic microorganisms. Can be in either liquid (broth) or solidified (e.g. with agar) forms." xsd:string [Term] id: MICRO:0000068 name: defined microbiological culture medium is_a: MICRO:0000067 ! microbiological culture medium property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A chemically defined microbiological culture medium where all chemicals used are known. Does not contain any plant, animal, or microbiological cell extracts." xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "defined media" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "defined medium" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "defined mineral medium" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "mineral media" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "mineral medium" xsd:string [Term] id: MICRO:0000115 name: prokaryotic metabolic process is_a: GO:0044710 ! single-organism metabolic process property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A single-organism metabolic process that is present in a prokaryotic metabolically differentiated cell." xsd:string [Term] id: MICRO:0000116 name: chemical mixture, serving as microbiological medium ingredients is_a: CHEBI:60004 ! mixture property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A solid or liquid mixture of chemicals which are used as ingredients in microbiological culture media used to grow and propogate prokaryotic microorganisms." xsd:string [Term] id: MICRO:0000164 name: organic chemical mixture is_a: MICRO:0000116 ! chemical mixture, serving as microbiological medium ingredients property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "Organic compounds or mixtures of organic compounds added to culture media to support growth or metabolism of a microorganism." xsd:string [Term] id: MICRO:0000167 name: undefined organic chemical mixture is_a: MICRO:0000164 ! organic chemical mixture property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A mixture of dry or liquid organic compounds added to culture media to support growth or metabolism of a microorganism. Because the exact composition of the mixture is unknown or uncharacterized, it is referred to as \"undefined\"." xsd:string [Term] id: MICRO:0000170 name: microbiological medium ingredient, derived from extracts of microbial organisms is_a: MICRO:0001370 ! microbiological medium ingredient, derived from aqueous extracts property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "Undefined mixtures of complex organic compounds deriving from the aqueous extraction (an extraction using water, such as hot water or steam) of microbial (prokaryotic or microbial eukaryotic) cells. Used in the cultivation of microorganisms.\n" xsd:string [Term] id: MICRO:0000172 name: microbiological medium ingredient, derived from extracts of proteinaceous material is_a: MICRO:0000167 ! undefined organic chemical mixture property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "An undefined mixture of complex organic compounds (peptides, sometimes with additional undefined vitamins and cofactors) derived from enzymatic, acid, or base digests of protein from plant or animal sources. Used in the cultivation of microorganisms.\n" xsd:string [Term] id: MICRO:0000173 name: microbiological medium ingredient, derived from chemical hydrolysis of protein is_a: MICRO:0000172 ! microbiological medium ingredient, derived from extracts of proteinaceous material property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "Undefined mixtures of complex organic compounds derived (typically amino acids) from the acid hydrolysis of animal or plant protein added to culture media." xsd:string [Term] id: MICRO:0000174 name: microbiological medium ingredient, derived from enzymatic hydrolysis of protein is_a: MICRO:0000172 ! microbiological medium ingredient, derived from extracts of proteinaceous material property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "Protein hydrolysates, also called peptones, are the result of the enzymatic hydrolysis of protein." xsd:string property_value: IAO:0000119 "BD Bionutrients Technical Manual (3rd edition revised)." xsd:string [Term] id: MICRO:0000182 name: tryptone synonym: "Bacto Tryptone" NARROW [] synonym: "Bacto-Tryptone" NARROW [] synonym: "Proteose Tryptone" NARROW [] is_a: MICRO:0001366 ! casein hydrolysate property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "An enzymatic hydrolysate of casein (a milk protein from cow's milk, Bos taurus) made using the hydrolytic enzyme trypsin, used for the culturing of microorganisms." xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "bacto-tryptone" xsd:string property_value: IAO:0000119 "From BD Bionutrients(TM) Techical Manual (3rd edition, revised):\n\nBacto™ Tryptone is a pancreatic digest of casein. It was developed by Difco Laboratories while investigating a peptone particularly suitable for the elaboration of indole by bacteria. It is also notable for the absence of detectable levels of carbohydrates.\n\nAsh content is 6.6%\nNaCl content is 0.0%" xsd:string property_value: IAO:0000119 "From: Wikipedia:Tryptone\n\nTryptone is the assortment of peptides formed by the digestion of casein by the protease trypsin." xsd:string [Term] id: MICRO:0000184 name: casamino acids is_a: MICRO:0000173 ! microbiological medium ingredient, derived from chemical hydrolysis of protein property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "An acid hydrolysate of casein (milk protein from cow's milk, Bos taurus), used for the culturing of microorganisms." xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "acid digest of casein" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "Casein Hydrolysate" xsd:string property_value: IAO:0000119 "From BD Bionutrients Technical Manual (3rd edition revised):\n\nBacto™ Casamino Acids is an acid hydrolysate of casein, prepared according to the method described by Mueller and Miller. The method described, reduces the sodium chloride and iron content of the hydrolyzed casein. This hydrolyzed casein, supplemented with inorganic salts, growth factors, cystine, maltose and an optimum amount of iron was used by Mueller and Miller to prepare diptheria toxin. Bacto Casamino Acids duplicate this specially treated hydrolyzed casein.\n\nAsh content is 18.3%\nNaCl content is 12.1%" xsd:string [Term] id: MICRO:0000201 name: yeast extract is_a: MICRO:0000170 ! microbiological medium ingredient, derived from extracts of microbial organisms property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A water-soluble extract of autolyzed yeast (Saccharomyces cerevisiae), used for the culturing of microorganisms." xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "Yeast extrakt" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "Yeastrel" xsd:string property_value: IAO:0000119 "From BD Bionutrients Technical Manual (3rd edition revised): \n\nBacto™ Yeast Extract is one of the most complete and versatile fermentation bionutrients available. It is an important ingredient for the microbiological assay of vitamins. Yeast extract is also of value in the assay of antibiotics. B factor, a growth substance necessary for the production of rifampin in a Nocardia sp., can be isolated from yeast extract\n\nAsh content is 11.2%\nNaCl content is 0.1%" xsd:string property_value: IAO:0000119 "From www.SigmaAldrich.com: \n\nA water soluble extract of autolyzed yeast cells. Yeast extract is a mixture of amino acids, peptides, water soluble vitamins and carbohydrates and can be used as additive for culture media." xsd:string [Term] id: MICRO:0000465 name: microbiological medium ingredient, derived from enzymatic hydrolysis of milk protein is_a: MICRO:0000174 ! microbiological medium ingredient, derived from enzymatic hydrolysis of protein property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "Protein hydrolysates, also called peptones, are the result of the enzymatic hydrolysis of milk proteins (such as casein or lactalbumin)." xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "peptone from casein" xsd:string [Term] id: MICRO:0000558 name: MacConkey agar synonym: "MacConkey medium" BROAD [] is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000867 NCBITaxon:83333 ! experimental process Escherichia coli K-12 property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "An organic-rich, selective solid microbiological culture medium that contains peptones, lactose, bile salts, crystal violet, and a pH indicator (neutral red). The bile salts inhibit swarming in Proteus spp., and the crystal violet inhibits growth of some Gram-positive bacteria. Lactose fermentation lowers the pH, resulting in colonies that are red or pink in color, and causes the bile salts to precipitate. Non-lactose fermenters that can deaminate amino acids in the peptone release ammonia, which causes the pH to increase (and thus the colonies appear white)." xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "MAC" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "Mac-Conkey agar" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "Maccongkey agar" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "Macconkey agar" xsd:string property_value: IAO:0000119 "From MacConkey Agar (Becton-Dickinson Difco and BBL Manual of Microbiological Culture Media, 2nd edition):\n\nIntended Use\n\nMacConkey agars are slightly selective and differential plating media mainly used for the detection and isolation of gram-negative organisms from clinical,1-3 dairy,4 food,5-7 water,8 pharmaceutical, 9-11 cosmetic,6,7 and other industrial sources. MacConkey Agar is used for isolating and differentiating lactose-fermenting from lactose-nonfermenting gram-negative enteric bacilli.\n\nPrinciples of the Procedure\nPeptones are sources of nitrogen and other nutrients. Yeast extract is a source of trace elements, vitamins, amino acids and carbon. Lactose is a fermentable carbohydrate. When lactose is fermented, a local pH drop around the colony causes a color change in the pH indicator (neutral red) and bile precipitation. Bile salts, bile salts no. 3, oxgall and crystal violet are selective agents that inhibit growth of gram-positive organisms. Sodium chloride maintains osmotic balance in the medium. Magnesium sulfate is a source of divalent cations. Agar is the solidifying agent.\n\nFormulae\nDifco™ MacConkey Agar\nApproximate Formula* Per Liter\nPancreatic Digest of Gelatin....................................... 17.0 g\nPeptones (meat and casein).......................................... 3.0 g\nLactose...................................................................... 10.0 g\nBile Salts No. 3............................................................. 1.5 g\nSodium Chloride.......................................................... 5.0 g\nAgar.......................................................................... 13.5 g\nNeutral Red.................................................................. 0.03 g\nCrystal Violet............................................................... 1.0 mg\n\npH 7.1 ± 0.2\n\nDifco™ MacConkey Agar Base\nConsists of the same ingredients without the lactose.\n\nBBL™ MacConkey Agar\nApproximate Formula* Per Liter\nPancreatic Digest of Gelatin....................................... 17.0 g\nPeptones (meat and casein).......................................... 3.0 g\nLactose...................................................................... 10.0 g\nBile Salts...................................................................... 1.5 g\nSodium Chloride.......................................................... 5.0 g\nAgar.......................................................................... 13.5 g\nNeutral Red.................................................................. 0.03 g\nCrystal Violet............................................................... 1.0 mg\n\npH 7.1 ± 0.2\n" xsd:string [Term] id: MICRO:0000562 name: LB medium is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000867 NCBITaxon:83333 ! experimental process Escherichia coli K-12 property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "An organic-rich, liquid microbiological culture medium containing tryptone, yeast extract, and sodium chloride. Used to cultivate Escherichia coli." xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "LB broth" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "Luria broth" xsd:string property_value: IAO:0000119 "From: LB Broth, Miller (Becton-Dickinson Difco and BBL Manual of Microbiological Culture Media, 2nd edition):\n\nIntended Use\nLB Agar, Miller and LB Broth, Miller (Luria-Bertani) are used for maintaining and propagating Escherichia coli in molecular microbiology procedures.\n\nPrinciples of the Procedure\nPeptone provides nitrogen and carbon. Vitamins (including B vitamins) and certain trace elements are provided by yeast extract. Sodium ions for transport and osmotic balance are provided by sodium chloride. Agar is the solidifying agent in LB Agar, Miller.\n\nFormulae\nDifco™ LB Agar, Miller\nApproximate Formula* Per Liter\nTryptone.................................................................... 10.0 g\nYeast Extract................................................................ 5.0 g\nSodium Chloride........................................................ 10.0 g\nAgar.......................................................................... 15.0 g\nDifco™ LB Broth, Miller\nConsists of the same ingredients without the agar.\n*Adjusted and/or supplemented as required to meet performance criteria.\n\npH 7.0 ± 0.2" xsd:string [Term] id: MICRO:0001366 name: casein hydrolysate is_a: MICRO:0000465 ! microbiological medium ingredient, derived from enzymatic hydrolysis of milk protein property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "Microbiological medium ingredient, derived from enzymatic hydrolysis of milk protein. An enzymatic hydrolysate of casein (a milk protein from cow's milk, Bos taurus), used for the culturing of microorganisms." xsd:string [Term] id: MICRO:0001370 name: microbiological medium ingredient, derived from aqueous extracts is_a: MICRO:0000167 ! undefined organic chemical mixture property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "Undefined mixture of complex organic compounds derived from animal, fish, plant materials or soil, produced by the process of aqueous extraction (extraction using water, such as hot water). Used in the cultivation of microorganisms.\n" xsd:string [Term] id: MICRO:0001526 name: (an)aerobiosis is_a: MICRO:0000115 ! prokaryotic metabolic process property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A prokaryotic metabolic process where a microorganism grows (undergoes cell division) in the presence or absence of oxygen." xsd:string [Term] id: MICRO:0001528 name: anaerobiosis is_a: MICRO:0001526 ! (an)aerobiosis property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A prokaryotic metabolic process where the organism grows in the absence of oxygen." xsd:string [Term] id: MICRO:0001531 name: aerobiosis is_a: MICRO:0001526 ! (an)aerobiosis property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "A prokaryotic metabolic process where the organism grows in the presence of oxygen." xsd:string [Term] id: MICRO:0002316 name: DSMZ Medium 382 is_a: MICRO:0000067 ! microbiological culture medium relationship: MCO:0000866 NCBITaxon:83333 ! treatment Escherichia coli K-12 property_value: curator_notes "DSM strains:\n" xsd:string property_value: http://purl.obolibrary.org/obo/createdBy "Carrine Blank" xsd:string property_value: http://purl.obolibrary.org/obo/definition "An organic-rich, liquid culture medium comprised of 10 x M9 salts, magnesium sulfate, calcium chloride, thiamine hydrochloride, glucose, and proline." xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "M9 minimal medium" xsd:string property_value: http://purl.obolibrary.org/obo/has_exact_synonym "Minimal medium M9" xsd:string property_value: IAO:0000119 "http://www.dsmz.de/microorganisms/medium/pdf/DSMZ_Medium382.pdf\n\n382. MINERAL MEDIUM M9 for E. coli JM strains\n\n10 x M9 salts (see below) 100.0 ml\n1 M MgSO4 1.0 ml\n0.1 M CaCl2 1.0 ml\n1 M Thiamine-HCl x 2 H2O\n(filter-sterilized) 1.0 ml\nGlucose (20%) 10.0 ml\nProline 20.0 mg\nDistilled water 900.0 ml\n\nThe above solutions should be sterilized separately by filtration (thiamine, glucose) or autoclaving.\n\n10 x M9 salts (per l):\nNa2HPO4 60.0 g\nKH2PO4 30.0 g\nNH4Cl 10.0 g\nNaCl 5.0 g\n\nAdjust pH to 7.4.\n\n© 2007 DSMZ GmbH - All rights reserved" xsd:string [Term] id: NCBITaxon:1110693 name: Escherichia coli str. K-12 substr. MDS42 synonym: "Escherichia coli MDS42" EXACT equivalent_name [] synonym: "Escherichia coli strain K-12 substrain MDS42" EXACT equivalent_name [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:1211845 name: Escherichia coli MC1061 is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:1224 name: Proteobacteria namespace: ncbi_taxonomy synonym: "Alphaproteobacteraeota" RELATED synonym [] synonym: "proteobacteria" RELATED blast_name [] synonym: "purple bacteria" EXACT common_name [] synonym: "purple bacteria and relatives" EXACT common_name [] synonym: "purple non-sulfur bacteria" EXACT common_name [] synonym: "purple photosynthetic bacteria" EXACT common_name [] synonym: "purple photosynthetic bacteria and relatives" EXACT common_name [] xref: GC_ID:11 xref: PMID:11321122 xref: PMID:11542017 xref: PMID:11837318 xref: PMID:16280474 xref: PMID:26654112 is_a: NCBITaxon:2 ! Bacteria property_value: has_rank NCBITaxon:phylum [Term] id: NCBITaxon:1236 name: Gammaproteobacteria namespace: ncbi_taxonomy synonym: "g-proteobacteria" RELATED blast_name [] synonym: "gamma proteobacteria" RELATED synonym [] synonym: "gamma subdivision" RELATED synonym [] synonym: "gamma subgroup" RELATED synonym [] synonym: "Proteobacteria gamma subdivision" RELATED synonym [] synonym: "Purple bacteria, gamma subdivision" RELATED synonym [] xref: GC_ID:11 xref: PMID:16280474 xref: PMID:23334881 is_a: NCBITaxon:1224 ! Proteobacteria property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:1245474 name: Escherichia coli ER2796 synonym: "Escherichia coli DB24" RELATED synonym [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:131567 name: cellular organisms namespace: ncbi_taxonomy synonym: "biota" RELATED synonym [] xref: GC_ID:1 is_a: NCIT:C14250 ! Organism property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1318715 name: Escherichia coli BW38028 is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:1403831 name: Escherichia coli str. K-12 substr. MC4100 is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:1420014 name: Escherichia coli str. K-12 substr. MG1656 is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:2 name: Bacteria name: Bacteria namespace: ncbi_taxonomy synonym: "Bacteria" EXACT [] synonym: "bacteria" RELATED blast_name [] synonym: "eubacteria" EXACT genbank_common_name [] synonym: "Monera" RELATED in_part [] synonym: "not Bacteria Haeckel 1894" RELATED synonym [] synonym: "Procaryotae" RELATED in_part [] synonym: "Prokaryota" RELATED in_part [] synonym: "Prokaryotae" RELATED in_part [] synonym: "prokaryote" RELATED in_part [] synonym: "prokaryotes" RELATED in_part [] xref: GC_ID:11 xref: PMID:10425795 xref: PMID:10425796 xref: PMID:10425797 xref: PMID:10490293 xref: PMID:10843050 xref: PMID:10939651 xref: PMID:10939673 xref: PMID:10939677 xref: PMID:11211268 xref: PMID:11321083 xref: PMID:11321113 xref: PMID:11411719 xref: PMID:11540071 xref: PMID:11542017 xref: PMID:11542087 xref: PMID:11760965 xref: PMID:12054223 xref: PMID:2112744 xref: PMID:270744 xref: PMID:8123559 xref: PMID:8590690 xref: PMID:9103655 xref: PMID:9336922 is_a: NCBITaxon:131567 ! cellular organisms property_value: has_rank NCBITaxon:superkingdom property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:316385 name: Escherichia coli str. K-12 substr. DH10B synonym: "Escherichia coli DH10B" EXACT equivalent_name [] synonym: "Escherichia coli str. K12 substr. DH10B" EXACT equivalent_name [] synonym: "Escherichia coli strain K12 substrain DH10B" EXACT equivalent_name [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:316407 name: Escherichia coli str. K-12 substr. W3110 synonym: "Escherichia coli str. K12 substr. W3110" EXACT equivalent_name [] synonym: "Escherichia coli str. W3110" EXACT equivalent_name [] synonym: "Escherichia coli strain W3110" EXACT equivalent_name [] synonym: "Escherichia coli W3110" RELATED synonym [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:511145 name: Escherichia coli str. K-12 substr. MG1655 synonym: "Escherichia coli MG1655" RELATED synonym [] synonym: "Escherichia coli str. K12 substr. MG1655" EXACT equivalent_name [] synonym: "Escherichia coli str. MG1655" EXACT equivalent_name [] synonym: "Escherichia coli strain MG1655" EXACT equivalent_name [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:527799 name: Escherichia coli LW1655F+ synonym: "Escherichia coli str. LW1655F+" EXACT equivalent_name [] synonym: "Escherichia coli strain LW1655F+" EXACT equivalent_name [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:531853 name: Escherichia coli NC-7 synonym: "Escherichia coli str. NC-7" EXACT equivalent_name [] synonym: "Escherichia coli strain NC-7" EXACT equivalent_name [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:543 name: Enterobacteriaceae namespace: ncbi_taxonomy synonym: "Enterobacteraceae" RELATED synonym [] synonym: "gamma-3 proteobacteria" RELATED in_part [] xref: GC_ID:11 xref: PMID:10555323 xref: PMID:10555334 xref: PMID:16166704 is_a: NCBITaxon:91347 ! Enterobacterales property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:561 name: Escherichia namespace: ncbi_taxonomy synonym: "Escherchia" RELATED misspelling [] xref: GC_ID:11 xref: PMID:19700542 is_a: NCBITaxon:543 ! Enterobacteriaceae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:562 name: Escherichia coli namespace: ncbi_taxonomy alt_id: NCBITaxon:1637691 alt_id: NCBITaxon:662101 alt_id: NCBITaxon:662104 synonym: "Bacillus coli" RELATED synonym [] synonym: "Bacterium coli" RELATED synonym [] synonym: "Bacterium coli commune" RELATED synonym [] synonym: "E. coli" EXACT common_name [] synonym: "Enterococcus coli" RELATED synonym [] synonym: "Escherchia coli" RELATED misspelling [] synonym: "Escherichia/Shigella coli" EXACT equivalent_name [] synonym: "Eschericia coli" RELATED misspelling [] xref: GC_ID:11 xref: PMID:10319482 is_a: NCBITaxon:561 ! Escherichia property_value: has_rank NCBITaxon:species [Term] id: NCBITaxon:595496 name: Escherichia coli BW2952 synonym: "Escherichia coli str. BW2952" EXACT equivalent_name [] synonym: "Escherichia coli strain BW2952" EXACT equivalent_name [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:679895 name: Escherichia coli BW25113 synonym: "Escherichia coli str. BW25113" EXACT equivalent_name [] synonym: "Escherichia coli strain BW25113" EXACT equivalent_name [] is_a: NCBITaxon:83333 ! Escherichia coli K-12 [Term] id: NCBITaxon:83333 name: Escherichia coli K-12 synonym: "Escherichia coli K12" EXACT equivalent_name [] is_a: NCBITaxon:562 ! Escherichia coli [Term] id: NCBITaxon:91347 name: Enterobacterales namespace: ncbi_taxonomy synonym: "enterobacteria" RELATED blast_name [] synonym: "Enterobacteriaceae and related endosymbionts" RELATED synonym [] synonym: "Enterobacteriaceae group" RELATED synonym [] synonym: "Enterobacteriales" RELATED synonym [] synonym: "gamma-3 proteobacteria" RELATED in_part [] xref: GC_ID:11 xref: PMID:27620848 is_a: NCBITaxon:1236 ! Gammaproteobacteria property_value: has_rank NCBITaxon:order [Term] id: NCIT:C120538 name: cell density def: "A measurement of the number of cells per unit volume or area." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Cell Density" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Cell Density" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Cell Density" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-OETEST", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "CELLDENS" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-OETESTCD", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} is_a: OMP:0007167 ! population growth phenotype property_value: NCIT:A8 NCIT:C117742 property_value: NCIT:A8 NCIT:C117743 property_value: NCIT:A8 NCIT:C61410 property_value: NCIT:A8 NCIT:C66830 property_value: NCIT:NHC0 "C120538" xsd:string property_value: NCIT:P106 "Quantitative Concept" xsd:string property_value: NCIT:P108 "Cell Density" xsd:string property_value: NCIT:P207 "C0162339" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P325 "A measurement of the number of cells contained in a unit of volume." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} [Term] id: NCIT:C120710 name: maximum cell density def: "The maximum value in a range of values that describe cell density." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Cell Density, Maximum" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-OETEST", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Cell Density, Maximum" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "CELLDMAX" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-OETESTCD", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Maximum Cell Density" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C120538 ! cell density property_value: NCIT:A8 NCIT:C117742 property_value: NCIT:A8 NCIT:C117743 property_value: NCIT:A8 NCIT:C61410 property_value: NCIT:A8 NCIT:C66830 property_value: NCIT:NHC0 "C120710" xsd:string property_value: NCIT:P106 "Quantitative Concept" xsd:string property_value: NCIT:P108 "Maximum Cell Density" xsd:string property_value: NCIT:P207 "C4054569" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P325 "The maximum number in a group of values that represent the cell density." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} [Term] id: NCIT:C120711 name: minimum cell density def: "The minimum value in a range of values that describe cell density." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Cell Density, Minimum" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Cell Density, Minimum" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-OETEST", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "CELLDMIN" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-OETESTCD", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Minimum Cell Density" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C120538 ! cell density property_value: NCIT:A8 NCIT:C117742 property_value: NCIT:A8 NCIT:C117743 property_value: NCIT:A8 NCIT:C61410 property_value: NCIT:A8 NCIT:C66830 property_value: NCIT:NHC0 "C120711" xsd:string property_value: NCIT:P106 "Quantitative Concept" xsd:string property_value: NCIT:P108 "Minimum Cell Density" xsd:string property_value: NCIT:P207 "C4053785" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P325 "The minimum number in a group of values that represent the cell density." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} [Term] id: NCIT:C120712 name: mean cell density def: "The arithmetic mean of a range of values that describe the cell density of an entity." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Cell Density, Mean" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-OETEST", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Cell Density, Mean" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "CELLDMN" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-OETESTCD", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Mean Cell Density" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C120538 ! cell density property_value: NCIT:A8 NCIT:C117742 property_value: NCIT:A8 NCIT:C117743 property_value: NCIT:A8 NCIT:C61410 property_value: NCIT:A8 NCIT:C66830 property_value: NCIT:NHC0 "C120712" xsd:string property_value: NCIT:P106 "Quantitative Concept" xsd:string property_value: NCIT:P108 "Mean Cell Density" xsd:string property_value: NCIT:P207 "C4054565" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P325 "The mean number in a group of values that represent the cell density." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} [Term] id: NCIT:C14250 name: Organism def: "A living entity." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "BiologicEntity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="BRIDG"} synonym: "Organism" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Organism" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "organism" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000046250", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Organismal" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="AD", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Organisms" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Taxon" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: MCO:0000894 ! biological entity property_value: NCIT:A11 NCIT:C90259 property_value: NCIT:A8 NCIT:C90259 property_value: NCIT:NHC0 "C14250" xsd:string property_value: NCIT:P106 "Organism" xsd:string property_value: NCIT:P108 "Organism" xsd:string property_value: NCIT:P207 "C0029235" xsd:string property_value: NCIT:P322 "BRIDG" xsd:string property_value: NCIT:P322 "NICHD" xsd:string property_value: NCIT:P325 "A living thing, such as an animal, a plant, a bacterium, or a fungus." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P325 "Any individual living (or previously living) being. EXAMPLE(S): animal, human being" xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="BRIDG"} property_value: NCIT:P366 "Organisms" xsd:string property_value: NCIT:P371 "Organism" xsd:string [Term] id: NCIT:C18102 name: Physical Phenomenon or Property def: "A natural phenomenon involving the physics of matter and energy." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Physical Phenomenon" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Physical Phenomenon or Property" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Physical Process" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Physical Property" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: BFO:0000015 ! process property_value: NCIT:NHC0 "C18102" xsd:string property_value: NCIT:P106 "Phenomenon or Process" xsd:string property_value: NCIT:P108 "Physical Phenomenon or Property" xsd:string property_value: NCIT:P207 "C0597237" xsd:string property_value: NCIT:P366 "Physical_Phenomena_or_Properties" xsd:string [Term] id: NCIT:C25360 name: mutant def: "An altered form of an individual, organism, population, or genetic character that differs from the corresponding wild type due to one or more alterations (mutations)." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Mutant" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} xref: colombos:MUTATION is_a: MCO:0000383 ! genotype property_value: NCIT:NHC0 "C25360" xsd:string property_value: NCIT:P106 "Qualitative Concept" xsd:string property_value: NCIT:P108 "Mutant" xsd:string property_value: NCIT:P207 "C0596988" xsd:string property_value: NCIT:P366 "Mutant" xsd:string [Term] id: NCIT:C62195 name: wild type def: "The naturally-occurring, normal, non-mutated version of a gene or genome." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Wild Type" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Wild Type" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P385="TCGA", http://purl.obolibrary.org/obo/NCIT_P386="caDSR", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Wildtype" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "WT" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: MCO:0000383 ! genotype property_value: NCIT:NHC0 "C62195" xsd:string property_value: NCIT:P106 "Organism Attribute" xsd:string property_value: NCIT:P108 "Wild Type" xsd:string property_value: NCIT:P207 "C1883559" xsd:string property_value: NCIT:P366 "Wild_Type" xsd:string [Term] id: NCIT:C96144 name: flask def: "A container with a base wider than the narrow neck traditionally used for holding liquids." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Flask" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Flask" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="Stability", http://purl.obolibrary.org/obo/NCIT_P384="FDA"} synonym: "flask" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="SPL", http://purl.obolibrary.org/obo/NCIT_P384="FDA"} is_a: OBI:0000967 ! container property_value: NCIT:A8 NCIT:C133805 property_value: NCIT:A8 NCIT:C133853 property_value: NCIT:A8 NCIT:C54452 property_value: NCIT:A8 NCIT:C96081 property_value: NCIT:NHC0 "C96144" xsd:string property_value: NCIT:P106 "Manufactured Object" xsd:string property_value: NCIT:P108 "Flask" xsd:string property_value: NCIT:P207 "C0872171" xsd:string property_value: NCIT:P322 "FDA" xsd:string property_value: NCIT:P325 "Flat bottom bottle, container or vessel." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="FDA", http://purl.obolibrary.org/obo/NCIT_P381="Stability"} [Term] id: OBI:0000011 name: planned process alt_id: CHMO:0001840 def: "A processual entity that realizes a plan which is the concretization of a plan specification." [] is_a: BFO:0000015 ! process property_value: curator_notes "6/11/9: Edited at workshop. Used to include: is initiated by an agent" xsd:string property_value: curator_notes "This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)" xsd:string property_value: editor_note "'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)" xsd:string property_value: IAO:0000111 "planned process" xsd:string property_value: IAO:0000112 "Injecting mice with a vaccine in order to test its efficacy" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Bjoern Peters" xsd:string property_value: IAO:0000119 "branch derived" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi/webService.owl property_value: IAO:0000412 http://rsc-cmo.googlecode.com/svn/trunk/chmo.owl [Term] id: OBI:0000047 name: processed material def: "Is a material entity that is created or changed during material processing." [] is_a: BFO:0000040 ! material entity property_value: IAO:0000111 "processed material" xsd:string property_value: IAO:0000112 "Examples include gel matrices, filter paper, parafilm and buffer solutions, mass spectrometer, tissue samples" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/dron.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi/webService.owl [Term] id: OBI:0000079 name: culture medium def: "a processed material that provides the needed nourishment for microorganisms or cells grown in vitro." [] xref: colombos:MEDIUM is_a: OBI:0000047 ! processed material property_value: editor_note "changed from a role to a processed material based on on Aug 22, 2011 dev call. Details see the tracker item: http://sourceforge.net/tracker/?func=detail&aid=3325270&group_id=177891&atid=886178\nModification made by JZ." xsd:string property_value: IAO:0000111 "culture medium" xsd:string property_value: IAO:0000112 "A growth medium or culture medium is a substance in which microorganisms or cells can grow. Wikipedia, growth medium, Feb 29, 2008" xsd:string property_value: IAO:0000114 IAO:0000120 property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Person: Jennifer Fostel, Jie Zheng" xsd:string property_value: IAO:0000119 "OBI" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi/webService.owl [Term] id: OBI:0000094 name: material processing alt_id: CHMO:0001131 alt_id: CHMO:0001267 alt_id: CHMO:0001461 alt_id: FIX:0000258 def: "A planned process which results in physical changes in a specified input material" [] def: "A planned process which results in physical changes in a specified input material." [] synonym: "material transformations" EXACT [] synonym: "preparative method" EXACT [] synonym: "sample preparation" EXACT [] synonym: "sample preparation step" EXACT [] synonym: "sample preparative method" EXACT [] is_a: OBI:0000011 ! planned process property_value: IAO:0000111 "material processing" xsd:string property_value: IAO:0000112 "A cell lysis, production of a cloning vector, creating a buffer." xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string property_value: IAO:0000117 "PERSON: Frank Gibson" xsd:string property_value: IAO:0000117 "PERSON: Jennifer Fostel" xsd:string property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string property_value: IAO:0000117 "PERSON: Philippe Rocca Serra" xsd:string property_value: IAO:0000119 "OBI branch derived" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi/webService.owl property_value: IAO:0000412 http://rsc-cmo.googlecode.com/svn/trunk/chmo.owl [Term] id: OBI:0000192 name: microtiter plate def: "A microtiter_plate is a flat plate with multiple wells used as small test tubes." [] is_a: OBI:0000967 ! container property_value: IAO:0000111 "microtiter plate" xsd:string property_value: IAO:0000112 "A microtiter plate with 6, 24, 96, 384 or 1536 sample wells used in the enzyme-linked immunosorbent assay (ELISA)" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Melanie Courtot" xsd:string property_value: IAO:0000118 "microplate" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Microtiter_plate xsd:string [Term] id: OBI:0000836 name: test tube def: "A test tube is a device consisting of a glass or plastic tubing, open at the top, usually with a rounded U-shaped bottom which has the function to contain material" [] is_a: OBI:0000967 ! container property_value: IAO:0000111 "test tube" xsd:string property_value: IAO:0000114 IAO:0000120 property_value: IAO:0000117 "Bjoern Peters" xsd:string property_value: IAO:0000118 "collection tube" xsd:string property_value: IAO:0000118 "sample tube" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Test_tube xsd:string [Term] id: OBI:0000967 name: container def: "A device that can be used to restrict the location of material entities over time" [] is_a: MCO:0000013 ! equipment and supplies property_value: editor_note "03/21/2010: Added to allow classification of children (similar to what we want to do for 'measurement device'. Lookint at what classifies here, we may want to reconsider a contain function assigned to a part of an entity is necessarily also a function of the whole (e.g. is a centrifuge a container because it has test tubes as parts?)" xsd:string property_value: IAO:0000111 "container" xsd:string property_value: IAO:0000114 IAO:0000123 property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string [Term] id: OBI:0001046 name: bioreactor def: "A device or system that supports a biologically active environment. ALAN SAYS NOT AN INSTRUMENT" [] is_a: OBI:0000967 ! container property_value: IAO:0000111 "bioreactor" xsd:string property_value: IAO:0000114 IAO:0000120 property_value: IAO:0000117 "PERSON: Erik Segerdell" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Bioreactor xsd:string [Term] id: OBI:0400043 name: flow cell def: "Aparatus in the fluidic subsystem where the sheath and sample meet. Can be one of several types; jet-in-air, quartz cuvette, or a hybrid of the two. The sample flows through the center of a fluid column of sheath fluid in the flow cell." [] xref: colombos:FLOW_CELL is_a: OBI:0000967 ! container property_value: IAO:0000111 "flow cell" xsd:string property_value: IAO:0000112 "Biofilm Flow Cell" xsd:string property_value: IAO:0000114 IAO:0000123 property_value: IAO:0000117 "Person:John Quinn" xsd:string property_value: IAO:0000118 "flow_cell" xsd:string property_value: IAO:0000119 http://www.flocyte.com/FRTP/Resources/flow_cytometry_glossary.htm xsd:string [Term] id: OMIT:0002104 name: Anaerobiosis is_a: ZECO:0000187 ! oxygen content property_value: http://purl.obolibrary.org/definition "oxygen content in which the concentration of oxygen is zero" xsd:string [Term] id: OMIT:0007298 name: gravitation xref: colombos:GRAVITY is_a: PATO:0001018 ! physical quality [Term] id: OMIT:0015719 name: weightlessness is_a: OMIT:0018667 ! hypogravity [Term] id: OMIT:0018665 name: altered gravity is_a: OMIT:0007298 ! gravitation [Term] id: OMIT:0018667 name: hypogravity is_a: OMIT:0018665 ! altered gravity [Term] id: OMP:0000176 name: biofilm phenotype namespace: microbial_phenotype def: "A multi-organism phenotype dealing with the process in which microorganisms attach to and grow on a surface and produce extracellular polymers that facilitate attachment and matrix formation." [GO:0042710, OMP:WAM] xref: colombos:GROWTH.BIOFILM is_a: OMP:0007167 ! population growth phenotype property_value: MCO:0000190 "biofilm cells" xsd:string created_by: Adrienne creation_date: 2011-02-02T03:17:19Z [Term] id: OMP:0000282 name: slower growth rate namespace: microbial_phenotype def: "An altered growth rate phenotype where the rate at which a cell or cells multiplies is decreased relative to a designated control." [OMP:DAS] synonym: "decreased growth rate (generations per unit time)" RELATED [] synonym: "increased generation time" EXACT [] is_a: OMP:0007115 ! altered growth rate created_by: mchibucos creation_date: 2011-07-21T02:43:01Z [Term] id: OMP:0000283 name: faster growth rate namespace: microbial_phenotype def: "An altered growth rate phenotype where the rate at which a cell or cells multiplies is increased relative to a designated control." [OMP:DAS] synonym: "decreased generation time" EXACT [] synonym: "increased growth rate (generations per unit time)" RELATED [] is_a: OMP:0007115 ! altered growth rate created_by: mchibucos creation_date: 2011-07-21T02:43:22Z [Term] id: OMP:0007115 name: altered growth rate namespace: microbial_phenotype def: "A population growth phenotype where the rate at which a cell or cells multiplies is altered relative to a designated control." [OMP:DAS] synonym: "altered doubling time" EXACT [] synonym: "altered generation time" RELATED [] is_a: OMP:0007156 ! growth rate phenotype created_by: siegele creation_date: 2014-07-17T16:29:34Z [Term] id: OMP:0007156 name: growth rate phenotype namespace: microbial_phenotype def: "A growth phenotype concerning the rate at which the number of organisms or cells in a microbial population increases over time." [OMP:DAS] xref: colombos:GROWTH_RATE is_a: OMP:0007167 ! population growth phenotype created_by: siegele creation_date: 2014-08-28T12:14:20Z [Term] id: OMP:0007167 name: population growth phenotype namespace: microbial_phenotype def: "A microbial phenotype that affects the rate or extent of increase in the number of individuals in a microbial population as the result of sexual or asexual reproduction." [FYPO:0001358, OMP:DAS] comment: This is a high-level term whose primary purpose is to organize terms beneath it in the ontology, and we recommend that it not be used for direct annotation. Please consider using a more specific term to annotate each phenotype. xref: GO:0000003 "reproduction" is_a: BFO:0000019 ! quality created_by: siegele creation_date: 2014-09-25T17:14:07Z [Term] id: PATO:0000146 name: temperature namespace: quality def: "A physical quality of the thermal energy of a system." [PATOC:GVG] subset: attribute_slim subset: scalar_slim xref: colombos:TEMPERATURE is_a: PATO:0001018 ! physical quality [Term] id: PATO:0001018 name: physical quality namespace: quality alt_id: PATO:0002079 def: "A quality of a physical entity that exists through action of continuants at the physical level of organisation in relation to other entities." [PATOC:GVG] subset: attribute_slim synonym: "relational physical quality" EXACT [] xref: Wikipedia:Physical_property is_a: PATO:0001241 ! physical object quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001025 name: pressure namespace: quality def: "A physical quality that inheres in a bearer by virtue of the bearer's amount of force per unit area it exerts." [PATOC:GVG] subset: attribute_slim is_a: PATO:0001018 ! physical quality [Term] id: PATO:0001241 name: physical object quality namespace: quality alt_id: PATO:0001237 alt_id: PATO:0001238 def: "A quality which inheres in a continuant." [] comment: Relational qualities are qualities that hold between multiple entities. Normal (monadic) qualities such as the shape of a eyeball exist purely as a quality of that eyeball. A relational quality such as sensitivity to light is a quality of that eyeball (and connecting nervous system) as it relates to incoming light waves/particles. synonym: "monadic quality of a continuant" EXACT [] synonym: "monadic quality of an object" NARROW [] synonym: "monadic quality of continuant" NARROW [] synonym: "multiply inhering quality of a physical entity" EXACT [] synonym: "quality of a continuant" EXACT [] synonym: "quality of a single physical entity" EXACT [] synonym: "quality of an object" EXACT [] synonym: "quality of continuant" EXACT [] xref: snap:Quality is_a: BFO:0000019 ! quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001291 name: electromagnetic (EM) radiation quality namespace: quality def: "A physical quality that inheres in an bearer by virtue of how that bearer interacts with electromagnetic radiation." [] subset: attribute_slim is_a: PATO:0001739 ! radiation quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001300 name: optical quality namespace: quality def: "An EM radiation quality in which the EM radiation is within the fiat range of the spectrum visible deemed to be light." [] subset: attribute_slim is_a: PATO:0001291 ! electromagnetic (EM) radiation quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001305 name: increased temperature namespace: quality alt_id: PATO:0000678 def: "A temperature which is relatively high." [PATOC:GVG] subset: value_slim synonym: "high temperature" EXACT [] synonym: "hot" EXACT [] is_a: PATO:0000146 ! temperature relationship: is_opposite_of PATO:0001306 ! decreased temperature [Term] id: PATO:0001306 name: decreased temperature namespace: quality alt_id: PATO:0000677 def: "A temperature which is relatively low." [PATOC:GVG] subset: value_slim synonym: "cold" EXACT [] synonym: "low temperature" EXACT [] is_a: PATO:0000146 ! temperature relationship: is_opposite_of PATO:0001305 ! increased temperature [Term] id: PATO:0001488 name: cellular motility namespace: quality def: "A cellular quality inhering in a cell by virtue of whether the bearer exhibits the ability to move spontaneously." [thefreedictionary.com:thefreedictionary.com] comment: Term should be obsoleted and the GO term cellular motility should be used instead. subset: attribute_slim subset: disposition_slim subset: scalar_slim is_a: PATO:0001018 ! physical quality property_value: MCO:0000190 "cell motility" xsd:string [Term] id: PATO:0001739 name: radiation quality namespace: quality def: "A quality that inheres in an bearer by virtue of how that bearer interacts with radiation." [] subset: attribute_slim is_a: PATO:0001018 ! physical quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0002297 name: decreased cellular motility namespace: quality def: "A cellular motility which is lower relative to the normal or average." [PATOC:GVG] subset: value_slim is_a: PATO:0001488 ! cellular motility relationship: is_opposite_of PATO:0002298 ! increased cellular motility [Term] id: PATO:0002298 name: increased cellular motility namespace: quality def: "A cellular motility which is higher relative to the normal or average." [PATOC:GVG] subset: value_slim is_a: PATO:0001488 ! cellular motility relationship: is_opposite_of PATO:0002297 ! decreased cellular motility [Term] id: PECO:0001036 name: chemical stress treatment namespace: plant_environment_ontology def: "A chemical treatment (EO:0007189) that induces stress." [PO:cooperl] xref: EO_GIT:64 xref: OBO_SF2_EO:64 is_a: MCO:0000866 ! treatment created_by: moorel creation_date: 2013-04-16T13:48:41Z [Term] id: PECO:0001037 name: oxidative stress treatment namespace: plant_environment_ontology def: "A chemical stress treatment (EO:0001036) involving use of oxidative stress-inducing chemicals." [PO:cooperl] xref: EO_GIT:32 xref: OBO_SF2_EO:32 is_a: PECO:0001036 ! chemical stress treatment property_value: MCO:0000190 "oxidation stress" xsd:string property_value: MCO:0000190 "oxidative stress" xsd:string created_by: moorel creation_date: 2013-04-16T13:54:16Z [Term] id: PECO:0001038 name: osmotic stress treatment namespace: plant_environment_ontology def: "A chemical stress treatment (EO:0001036) involving use of osmotic stress-inducing chemicals." [PO:cooperl] xref: EO_GIT:31 xref: OBO_SF2_EO:31 is_a: PECO:0001036 ! chemical stress treatment property_value: MCO:0000190 "osmotic shock" xsd:string property_value: MCO:0000190 "osmotic stress" xsd:string created_by: moorel creation_date: 2013-04-16T14:11:36Z [Term] id: PECO:0007178 name: atmospheric pressure namespace: plant_environment_ontology def: "The treatment involving an exposure to a given pressure of the atmosphere at a given point. Its measurement can be expressed in several ways. One is in millibars. Another is in inches or millimeters of mercury (Hg)." [GR:pj] synonym: "barometric pressure" RELATED [] is_a: PATO:0001025 ! pressure [Term] id: UBERON:0000174 name: excreta namespace: uberon alt_id: UBERON:0000324 alt_id: UBERON:0007550 def: "A portion of organism substance that is the product of an excretion process that will be eliminated from the body. An excretion process is elimination by an organism of the waste products that arise as a result of metabolic activity" [GO:0007588, http://orcid.org/0000-0002-6601-2165] synonym: "excreted substance" EXACT [] synonym: "excretion" RELATED [BTO:0000491] synonym: "portion of excreted substance" EXACT [FMA:9674] synonym: "waste substance" EXACT [AEO:0000184] xref: AEO:0000184 xref: BTO:0000491 xref: EHDAA2_RETIRED:0003184 xref: ENVO:02000022 xref: FMA:9674 xref: galen:Excretion is_a: MCO:0000014 ! natural medium [Term] id: UBERON:0000479 name: tissue namespace: uberon def: "Multicellular anatomical structure that consists of many cells of one or a few types, arranged in an extracellular matrix such that their long-range organisation is at least partly a repetition of their short-range organisation." [CARO:0000043] subset: pheno_slim subset: upper_level synonym: "portion of tissue" EXACT [CARO:0000043] synonym: "simple tissue" NARROW [AEO:0000043] synonym: "tissue portion" EXACT [] xref: AAO:0000607 xref: AAO:0010054 xref: AEO:0000043 xref: BILA:0000043 xref: birnlex:19 xref: CALOHA:TS-2090 xref: CARO:0000043 xref: EHDAA2:0003043 xref: EMAPA:35868 xref: FBbt:00007003 xref: FMA:9637 xref: galen:Tissue xref: HAO:0000043 xref: http://linkedlifedata.com/resource/umls/id/C0040300 xref: MA:0003002 xref: MESH:D014024 xref: NCIT:C12801 xref: TAO:0001477 xref: TGMA:0001844 xref: UMLS:C0040300 {source="ncithesaurus:Tissue"} xref: VHOG:0001757 xref: WBbt:0005729 xref: XAO:0003040 xref: ZFA:0001477 is_a: MCO:0000014 ! natural medium property_value: editor_note "changed label and definition to reflect CARO2" xsd:string [Term] id: UBERON:0000912 name: mucus namespace: uberon def: "Mucus is a bodily fluid consisting of a slippery secretion of the lining of the mucous membranes in the body. It is a viscous colloid containing antiseptic enzymes (such as lysozyme) and immunoglobulins. Mucus is produced by goblet cells in the mucous membranes that cover the surfaces of the membranes. It is made up of mucins and inorganic salts suspended in water." [http://en.wikipedia.org/wiki/Mucus] xref: CALOHA:TS-2144 xref: colombos:MUCUS xref: ENVO:02000040 xref: FMA:66938 xref: GAID:1164 xref: galen:Mucus xref: http://en.wikipedia.org/wiki/Mucus xref: http://linkedlifedata.com/resource/umls/id/C0026727 xref: MESH:D009093 xref: NCIT:C13259 xref: OpenCyc:Mx4rvVjHq5wpEbGdrcN5Y29ycA xref: UMLS:C0026727 {source="ncithesaurus:Mucus"} is_a: UBERON:0006314 ! bodily fluid property_value: has_relational_adjective "mucoid" xsd:string property_value: has_relational_adjective "mucous" xsd:string [Term] id: UBERON:0001088 name: urine namespace: uberon def: "Excretion that is the output of a kidney" [http://en.wikipedia.org/wiki/Urine, https://github.com/geneontology/go-ontology/issues/11025] subset: efo_slim subset: pheno_slim subset: uberon_slim xref: BTO:0001419 xref: CALOHA:TS-1092 xref: EFO:0001939 xref: EMAPA:36554 xref: ENVO:00002047 xref: FMA:12274 xref: GAID:1189 xref: galen:Urine xref: http://en.wikipedia.org/wiki/Urine xref: http://linkedlifedata.com/resource/umls/id/C0042036 xref: MA:0002545 xref: MAT:0000058 xref: MESH:D014556 xref: MIAA:0000058 xref: NCIT:C13283 xref: OpenCyc:Mx4rvVjGppwpEbGdrcN5Y29ycA xref: UMLS:C0042036 {source="ncithesaurus:Urine"} is_a: UBERON:0000174 ! excreta property_value: taxon_notes "kidney excreta from some taxa (e.g. in aves) may not be liquid" xsd:string [Term] id: UBERON:0006314 name: bodily fluid namespace: uberon def: "Liquid components of living organisms. includes fluids that are excreted or secreted from the body as well as body water that normally is not." [http://en.wikipedia.org/wiki/Body_fluid, MESH:A12.207] subset: pheno_slim synonym: "body fluid" EXACT [GAID:266] synonym: "fluid" BROAD [] xref: birnlex:20 xref: Body:fluid xref: FMA:280556 xref: GAID:266 xref: galen:BodyFluid xref: MESH:D001826 is_a: MCO:0000014 ! natural medium [Term] id: ZECO:0000187 name: oxygen content is_a: MCO:0000078 ! aeration property_value: MCO:0000851 "an aeration quality that inheres in a bearer by virtue of the amount of oxygen the bearer contains" xsd:string [Term] id: ZECO:0000188 name: hyperoxia def: "oxygen content with high oxygen concentration" [] is_a: ZECO:0000187 ! oxygen content property_value: MCO:0000190 "high oxygen saturation" xsd:string property_value: MCO:0000190 "oxygen high saturation (300%)" xsd:string [Term] id: ZECO:0000189 name: hypoxia def: "oxygen content with low oxygen concentration" [] is_a: ZECO:0000187 ! oxygen content property_value: MCO:0000190 "decreased oxygen" xsd:string property_value: MCO:0000190 "microaerobic" xsd:string property_value: MCO:0000190 "microaerobiosis" xsd:string [Term] id: ZECO:0000200 name: pH def: "A physical quality that inheres in a bearer by virtue of the amount of hydrogen ions it contains" [] is_a: PATO:0001018 ! physical quality [Term] id: ZECO:0000201 name: acidic def: "Experimental condition in which the pH of the water is lower than the pH of the controlled conditions." [] is_a: ZECO:0000200 ! pH property_value: MCO:0000190 "acid pH" xsd:string [Term] id: ZECO:0000202 name: basic def: "Experimental condition in which the pH of the water is higher than the pH of the controlled conditions." [] is_a: ZECO:0000200 ! pH property_value: MCO:0000190 "alkaline pH" xsd:string [Typedef] id: MCO:0000858 name: has biological role in Escherichia coli is_a: RO:0002260 ! has biological role [Typedef] id: MCO:0000859 name: used in treatment def: "a relation between a continuant and a treatment, in which the continuant is a necessary component of the treatment" [] domain: BFO:0000002 ! continuant [Typedef] id: MCO:0000860 name: used in Escherichia coli treatment def: "a relation between a continuant and a treatment, in which the continuant is a necessary component of the treatment, specifically in Escherichia coli experiments" [] domain: BFO:0000002 ! continuant is_a: MCO:0000859 ! used in treatment [Typedef] id: MCO:0000866 name: is minimal medium for def: "a relation between a culture medium and an organism, in wich the culture medium contains the minimal necessities for growth of the wild-type of that organism and contains only inorganic salts, a carbon source for that organism, and water." [] domain: OBI:0000079 ! culture medium range: NCIT:C14250 ! Organism [Typedef] id: MCO:0000867 name: is rich medium for def: "a relation between a culture medium and an organism, in which the medium contains all the elements that the specific organism needs for growth and is non-selective, so it is used for the general cultivation and maintenance of the organism kept in laboratory culture collections" [] domain: OBI:0000079 ! culture medium range: NCIT:C14250 ! Organism [Typedef] id: RO:0002260 name: has biological role def: "c has-biological-role r iff c has-role r and r is a biological role (CHEBI:24432)" [] is_a: has_role ! has role [Typedef] id: curator_notes name: curator note name: curator notes namespace: uberon def: "An administrative note of use for a curator but of no use for a user" [] xref: IAO:0000232 property_value: IAO:0000111 "curator note" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "PERSON:Alan Ruttenberg" xsd:string property_value: isDefinedBy http://purl.obolibrary.org/obo/iao.owl is_metadata_tag: true [Typedef] id: editor_note name: editor note namespace: uberon def: "An administrative note intended for its editor. It may not be included in the publication version of the ontology, so it should contain nothing necessary for end users to understand the ontology." [] xref: IAO:0000116 property_value: http://purl.obolibrary.org/obo/hasDbXref IAO:0000116 xsd:string property_value: http://purl.obolibrary.org/obo/hasOBONamespace "uberon" xsd:string property_value: http://purl.obolibrary.org/obo/id "editor_note" xsd:string property_value: http://purl.obolibrary.org/obo/is_metadata_tag "true" xsd:boolean property_value: http://purl.obolibrary.org/obo/shorthand "editor_note" xsd:string property_value: IAO:0000111 "editor note" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "PERSON:Daniel Schober" xsd:string property_value: IAO:0000119 GROUP:OBI: xsd:string property_value: isDefinedBy http://purl.obolibrary.org/obo/iao.owl is_metadata_tag: true [Typedef] id: external_ontology_notes name: external_ontology_notes namespace: uberon def: "Notes on how similar or equivalent classes are represented in other ontologies." [https://orcid.org/0000-0002-6601-2165] xref: UBPROP:0000012 property_value: editor_note "This annotation property may be replaced with an annotation property from an external ontology such as IAO" xsd:string is_metadata_tag: true [Typedef] id: has_functional_parent name: has functional parent namespace: chebi_ontology is_cyclic: false is_transitive: false [Typedef] id: has_parent_hydride name: has parent hydride namespace: chebi_ontology is_cyclic: false is_transitive: false [Typedef] id: has_part name: has part namespace: chebi_ontology xref: BFO:0000051 is_cyclic: false is_transitive: true [Typedef] id: has_relational_adjective name: has_relational_adjective namespace: uberon xref: UBPROP:0000007 property_value: curator_notes "Used to connect a class to an adjectival form of its label. For example, a class with label 'intestine' may have a relational adjective 'intestinal'." xsd:string is_metadata_tag: true [Typedef] id: has_role name: has role namespace: chebi_ontology xref: RO:0000087 is_cyclic: false is_transitive: false is_a: RO:0000053 [Typedef] id: is_conjugate_acid_of name: is conjugate acid of namespace: chebi_ontology is_cyclic: true is_transitive: false inverse_of: is_conjugate_base_of ! is conjugate base of [Typedef] id: is_conjugate_base_of name: is conjugate base of namespace: chebi_ontology is_cyclic: true is_transitive: false [Typedef] id: is_enantiomer_of name: is enantiomer of namespace: chebi_ontology is_cyclic: true is_transitive: false [Typedef] id: is_opposite_of name: is opposite_of namespace: quality xref: RO:0002604 is_metadata_tag: true is_class_level: true [Typedef] id: is_substituent_group_from name: is substituent group from namespace: chebi_ontology is_cyclic: false is_transitive: false [Typedef] id: is_tautomer_of name: is tautomer of namespace: chebi_ontology is_cyclic: true is_transitive: true [Typedef] id: taxon_notes name: taxon_notes namespace: uberon def: "Notes on the how instances of this class vary across species." [https://orcid.org/0000-0002-6601-2165] xref: UBPROP:0000008 is_metadata_tag: true