CHEBI:186993 - PG(12:0/17:2(9Z,12Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PG(12:0/17:2(9Z,12Z))
ChEBI ID CHEBI:186993
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H65O10P
Net Charge 0
Average Mass 676.869
Monoisotopic Mass 676.43154
InChI InChI=1S/C35H65O10P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-35(39)45-33(31-44-46(40,41)43-29-32(37)28-36)30-42-34(38)26-24-22-20-18-12-10-8-6-4-2/h9,11,14-15,32-33,36-37H,3-8,10,12-13,16-31H2,1-2H3,(H,40,41)/b11-9-,15-14-/t32-,33+/m0/s1
InChIKey IXTQNSDMUHGQRK-JWLQLNDYSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PG(12:0/17:2(9Z,12Z)) (CHEBI:186993) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual Xrefs Databases
113376808 ChemSpider
LMGP04010052 LIPID MAPS
View more database links