CHEBI:63860 - (S)-nicotinium N-α-D-glucosiduronate

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ChEBI Name (S)-nicotinium N-α-D-glucosiduronate
ChEBI ID CHEBI:63860
ChEBI ASCII Name (S)-nicotinium N-alpha-D-glucosiduronate
Definition An N-glycosylpyridine that is the N-α-D-glucosiduronyl derivative of (S)-nicotine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H22N2O6
Net Charge 0
Average Mass 338.35570
Monoisotopic Mass 338.14779
InChI InChI=1S/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1
InChIKey SAWAIULJDYFLPD-SOAFEQHCSA-N
SMILES [H][C@]1(CCCN1C)c1ccc[n+](c1)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-nicotinium N-α-D-glucosiduronate (CHEBI:63860) has functional parent (S)-nicotine (CHEBI:17688)
(S)-nicotinium N-α-D-glucosiduronate (CHEBI:63860) has role metabolite (CHEBI:25212)
(S)-nicotinium N-α-D-glucosiduronate (CHEBI:63860) is a N-glycosylpyridine (CHEBI:36979)
(S)-nicotinium N-α-D-glucosiduronate (CHEBI:63860) is a iminium betaine (CHEBI:35285)
IUPAC Name
1-(α-D-glucopyranuronosyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridinium
Synonyms Sources
(S)-1-alpha-D-glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)pyridinium inner salt ChemIDplus
3,4,5-trihydroxy-6-[5-(1-methylpyrrolidin-2-yl)pyridin-1-yl]-oxane-2-carboxylate HMDB
Nicotine glucuronide ChemIDplus
nicotine N-glucuronide ChEBI
Manual Xref Database
HMDB0001272 HMDB
View more database links
Registry Number Type Source
152306-59-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11201307 PubMed citation Europe PMC
11846386 PubMed citation Europe PMC
15265511 PubMed citation Europe PMC
21497036 PubMed citation Europe PMC
7902257 PubMed citation Europe PMC
Last Modified
19 October 2012