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cotinine glucuronide

MNXM16856 is deprecated and here replaced by MNXM731442
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731442 Image of MNXM731442
referencechebi:145221
formulaC16H20N2O7
global charge0
mol weight352.343
InChIKeyXWZCZWKUGIQPJD-CVRQRIFOSA-N
InChIInChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/t9-,11-,12-,13+,14-,15-/m0/s1
SMILESCN1C(=O)CC[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/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/t9-,11-,12-,13+,14-,15-/m0/s1 Image of MNXM731442
SMILES (mnx)[CH3:1][N:17]1[C@H:9]([C:8]2=[CH:7][N+:18]([C@@H:15]3[C@H:13]([OH:22])[C@@H:11]([OH:20])[C@H:12]([OH:21])[C@@H:14]([C:16](=[O:23])[O-:24])[O:25]3)=[CH:6][CH:2]=[CH:3]2)[CH2:4][CH2:5][C:10]1=[O:19]
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

CHEBI:145221
chebi:145221
XWZCZWKUGIQPJD-CVRQRIFOSA-N 		cotinine glucuronide
hmdb:HMDB0001013
XWZCZWKUGIQPJD-CVRQRIFOSA-N 		Cotinine glucuronide
1-(6-carboxylato-3,4,5-trihydroxyoxan-2-yl)-3-(1-methyl-5-oxopyrrolidin-2-yl)-1lambda⁵-pyridin-1-ylium
1-b-D-Glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)- pyridinium
1-beta-delta-Glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)- pyridinium
Cotinine-N-glucuronide
Cotinine-glucuronide
UDP Xylose
UDP-alpha
UDP-delta-Xylose
Uridine diphosphate xylose
alpha-D-Xylopyranosyl ester
alpha-delta-Xylopyranosyl ester

metacyc.compound:CPD-2747
metacycM:CPD-2747
seed.compound:cpd24388
seedM:cpd24388
XWZCZWKUGIQPJD-CVRQRIFOSA-N 		cotinine-glucuronide

hmdb:HMDB01013
seedM:M_cpd24388 		secondary/obsolete/fantasy identifier