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10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide

MNXM150158 is deprecated and here replaced by MNXM1101979
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101979

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

formula

C₂₄H₄₂O₁₀

charge

mass

490.2778

reference

chebi:176173

InChIKey

IRADJQUIAYBZPY-WKVBQAANSA-N

InChI

InChI=1S/C24H42O10/c1-2-3-4-5-7-10-13-16(25)17(14-11-8-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h7,10,16-17,19-22,24-25,28-30H,2-6,8-9,11-15H2,1H3,(H,26,27)(H,31,32)/b10-7-/t16-,17-,19-,20+,21-,22-,24-/m1/s1

SMILES

CCCCC/C=C\C[C@@H](O)[C@@H](CCCCCCCC(=O)O)O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176173 chebi:176173	10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide (2R,3S,4R,5R,6R)-6-[(Z,8R,9R)-1-carboxy-9-hydroxyheptadec-11-en-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060120	10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide (2R,3S,4R,5R,6R)-6-{[(8R,9R,11Z)-1-carboxy-9-hydroxyheptadec-11-en-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 10-Hydroxy-octadec-12Z-enoate-9-b-D-glucuronide 10-Hydroxy-octadec-12Z-enoic acid-9-b-D-glucuronide 10-Hydroxy-octadec-12Z-enoic acid-9-beta-D-glucuronide
bigg.metabolite:CE2304 biggM:CE2304	10-hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide
hmdb:HMDB60120 biggM:M_CE2304	secondary/obsolete/fantasy identifier