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cotinine-glucuronide

MNXM16856 is deprecated and here replaced by MNXM731442
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM731442

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₆H₂₀N₂O₇

charge

mass

352.12705

reference

metacycM:CPD-2747

InChIKey

XWZCZWKUGIQPJD-CVRQRIFOSA-N

InChI

InChI=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

SMILES

CN1C(=O)CC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-2747 metacycM:CPD-2747 seed.compound:cpd24388 seedM:cpd24388	cotinine-glucuronide
hmdb:HMDB0001013	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
CHEBI:145221 chebi:145221	cotinine glucuronide
hmdb:HMDB01013 seedM:M_cpd24388	secondary/obsolete/fantasy identifier