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

PropertiesImage
MNX_IDMNXM19897 Image of MNXM19897
referencechebi:63860
formulaC16H22N2O6
global charge0
mol weight338.36
InChIKeySAWAIULJDYFLPD-SOAFEQHCSA-N
InChIInChI=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
SMILESCN1CCC[C@H]1C1=C[N+]([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)=CC=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM19897
SMILES (mnx)[CH3:1][N:17]1[CH2:6][CH2:3][CH2:5][C@H:10]1[C:9]1=[CH:8][N+:18]([C@@H:15]2[C@H:13]([OH:21])[C@@H:11]([OH:19])[C@H:12]([OH:20])[C@@H:14]([C:16](=[O:22])[O-:23])[O:24]2)=[CH:7][CH:2]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-159298
reactomeM:R-ALL-159298
CHEBI:63860
chebi:63860
SAWAIULJDYFLPD-SOAFEQHCSA-N 		(S)-nicotinium N-alpha-D-glucosiduronate
(S)-1-alpha-D-glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)pyridinium inner salt
1-(alpha-D-glucopyranuronosyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridinium
3,4,5-trihydroxy-6-[5-(1-methylpyrrolidin-2-yl)pyridin-1-yl]-oxane-2-carboxylate
Nicotine glucuronide
nicotine N-glucuronide
hmdb:HMDB0001272
SAWAIULJDYFLPD-SOAFEQHCSA-N 		Nicotine glucuronide
(S)-1-a-D-Glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)pyridinium inner salt
(S)-1-alpha-D-Glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)-pyridinium inner salt
(S)-1-alpha-D-Glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)pyridinium inner salt
(S)-1-alpha-D-glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)pyridinium inner salt
(S)-1-alpha-delta-Glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)-pyridinium inner salt
(S)-1-alpha-delta-Glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)pyridinium inner salt
1-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]-1lambda⁵-pyridin-1-ylium
1-alpha-D-Glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)-(S)-pyridinium
1-alpha-D-Glucopyranuronosyl-3-[(2S)-1-methyl-2-pyrrolidinyl]-pyridinium
1-alpha-delta-Glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)-(S)-pyridinium
1-alpha-delta-Glucopyranuronosyl-3-[(2S)-1-methyl-2-pyrrolidinyl]-pyridinium
3,4,5-Trihydroxy-6-[5-(1-methylpyrrolidin-2-yl)pyridin-1-yl]-oxane-2-carboxylate
3,4,5-Trihydroxy-6-[5-(1-methylpyrrolidin-2-yl)pyridin-1-yl]-oxane-2-carboxylic acid
Nicotine N-glucuronide
Nicotine-glucuronide
nicotine glucuronide

metacyc.compound:CPD-2744
metacycM:CPD-2744
seed.compound:cpd24387
seedM:cpd24387
SAWAIULJDYFLPD-SOAFEQHCSA-O 		nicotine-glucuronide

hmdb:HMDB01272
seedM:M_cpd24387 		secondary/obsolete/fantasy identifier