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(S)-nicotinium N-alpha-D-glucosiduronate

Go to external page http://purl.obolibrary.org/obo/CHEBI_63860

An N-glycosylpyridine that is the N-alpha-D-glucosiduronyl derivative of (S)-nicotine.

Term info

Label

(S)-nicotinium N-alpha-D-glucosiduronate

Synonyms
  • 1-(alpha-D-glucopyranuronosyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridinium
database cross reference
Subsets

3_STAR

IUPAC NAME
1-(alpha-D-glucopyranuronosyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridinium [ IUPAC ]

charge

0

formula

C16H22N2O6

has obo namespace

chebi_ontology

has related synonym

(S)-1-alpha-D-glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)pyridinium inner salt, 3,4,5-trihydroxy-6-[5-(1-methylpyrrolidin-2-yl)pyridin-1-yl]-oxane-2-carboxylate, nicotine N-glucuronide, Nicotine glucuronide

id

CHEBI:63860

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

mass

338.35570

monoisotopicmass

338.14779

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