Feedback

trans-3-hydroxycotinine beta-D-glucuronide(1-)

MNXM22119 is deprecated and here replaced by MNXM732675
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732675

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

formula

C₁₆H₁₉N₂O₈

charge

-1

mass

367.11469

reference

chebi:133205

InChIKey

WALNNKZUGHYSCT-MGKNELHOSA-M

InChI

InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/p-1/t8-,9+,10-,11-,12+,13-,16+/m0/s1

SMILES

CN1C(=O)[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133205 chebi:133205	trans-3-hydroxycotinine beta-D-glucuronide(1-) (3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl beta-D-glucopyranosiduronate 3-hydroxycotinine glucuronide 3-hydroxycotinine glucuronide(1-)
hmdb:HMDB0001204	trans-3-Hydroxycotinine glucuronide (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(3R)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl]oxy}oxane-2-carboxylic acid 3'-Hydroxycotnine-glucuronide 3HC-Gluc trans-3-Hydroxycotinine-glucuronide
CHEBI:133206 chebi:133206	trans-3-hydroxycotinine beta-D-glucuronide (3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl beta-D-glucopyranosiduronic acid 3'-Hydroxycotnine-glucuronide 3-hydroxycotinine glucuronide 3HC-Gluc trans-3'-Hydroxycotinine-O-glucuronide trans-3-Hydroxycotinine glucuronide
hmdb:HMDB01204	secondary/obsolete/fantasy identifier