CHEBI:133206 - trans-3-hydroxycotinine β-D-glucuronide

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ChEBI Name trans-3-hydroxycotinine β-D-glucuronide ChEBI ID CHEBI:133206 ChEBI ASCII Name trans-3-hydroxycotinine beta-D-glucuronide Definition A β-D-glucosiduronic acid that is trans-3-hydroxycotinine in which the hydroxy hydrogen is replaced by a β-D-glucuronyl residue. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H20N2O8 Net Charge 0 Average Mass 368.339 Monoisotopic Mass 368.12197 InChI InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8-,9+,10-,11-,12+,13-,16+/m0/s1 InChIKey WALNNKZUGHYSCT-MGKNELHOSA-N SMILES O1[C@H](C(O)=O)[C@H]([C@H](O)[C@H]([C@@H]1O[C@@H]2C[C@H](N(C)C2=O)C=3C=NC=CC3)O)O Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) has functional parent trans-3-hydroxycotinine (CHEBI:71182) trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) has role human urinary metabolite (CHEBI:84087) trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) has role human xenobiotic metabolite (CHEBI:76967) trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) is a β-D-glucosiduronic acid (CHEBI:15341) trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) is a pyridines (CHEBI:26421) trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) is a pyrrolidin-2-ones (CHEBI:74223) trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) is conjugate acid of trans-3-hydroxycotinine β-D-glucuronide(1−) (CHEBI:133205) Incoming trans-3-hydroxycotinine β-D-glucuronide(1−) (CHEBI:133205) is conjugate base of trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) IUPAC Name (3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl β-D-glucopyranosiduronic acid Synonyms Sources 3'-Hydroxycotnine-glucuronide HMDB 3-hydroxycotinine glucuronide ChEBI 3HC-Gluc HMDB trans-3'-Hydroxycotinine-O-glucuronide ChemIDplus trans-3-Hydroxycotinine glucuronide HMDB Manual Xref Database HMDB0001204 HMDB View more database links Registry Numbers Types Sources 132929-88-5 CAS Registry Number ChemIDplus 21859433 Reaxys Registry Number Reaxys Citations Types Sources 23936477 PubMed citation Europe PMC 25373622 PubMed citation Europe PMC 7902257 PubMed citation Europe PMC Last Modified 09 September 2016