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12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate

PropertiesImage
MNX_IDMNXM1101981 Image of MNXM1101981
referencechebi:176172
formulaC24H42O10
global charge0
mol weight490.59
InChIKeyZWDYIYOIBZOENK-YZGJGUBNSA-N
InChIInChI=1S/C24H42O10/c1-2-3-10-14-17(33-24-21(30)19(28)20(29)22(34-24)23(31)32)16(25)13-11-8-6-4-5-7-9-12-15-18(26)27/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m1/s1
SMILESCCCCC[C@@H](O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)[C@H](O)C/C=C\CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C24H42O10/c1-2-3-10-14-17(33-24-21(30)19(28)20(29)22(34-24)23(31)32)16(25)13-11-8-6-4-5-7-9-12-15-18(26)27/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m1/s1 Image of MNXM1101981
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:10][CH2:14][C@H:17]([C@@H:16]([CH2:13]/[CH:11]=[CH:8]\[CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:12][CH2:15][C:18](=[O:26])[OH:27])[OH:25])[O:33][C@H:24]1[C@H:21]([OH:30])[C@H:19]([OH:28])[C@H:20]([OH:29])[C@H:22]([C:23](=[O:31])[OH:32])[O:34]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176172
chebi:176172
ZWDYIYOIBZOENK-YZGJGUBNSA-N 		12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate
(2R,3S,4R,5R,6R)-6-[(Z,6R,7R)-17-carboxy-7-hydroxyheptadec-9-en-6-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060119
ZWDYIYOIBZOENK-YZGJGUBNSA-N 		12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate
(2R,3S,4R,5R,6R)-6-{[(6R,7R,9Z)-17-carboxy-7-hydroxyheptadec-9-en-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoic acid

bigg.metabolite:CE2306
biggM:CE2306
ZWDYIYOIBZOENK-YZGJGUBNSA-L 		12-O-D-glucuronoside-13-hydroxyoctadec-9Z-enoate

hmdb:HMDB60119
biggM:M_CE2306 		secondary/obsolete/fantasy identifier