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9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate

PropertiesImage
MNX_IDMNXM1102003 Image of MNXM1102003
referencechebi:176174
formulaC24H42O10
global charge0
mol weight490.59
InChIKeyOERHNMHLKBHOMH-GRIBZEQKSA-N
InChIInChI=1S/C24H42O10/c1-2-3-4-5-8-11-14-17(16(25)13-10-7-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/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-/m0/s1
SMILESCCCCC/C=C\C[C@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C24H42O10/c1-2-3-4-5-8-11-14-17(16(25)13-10-7-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/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-/m0/s1 Image of MNXM1102003
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:8]=[CH:11]\[CH2:14][C@@H:17]([C@H:16]([CH2:13][CH2:10][CH2:7][CH2:6][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:176174
chebi:176174
OERHNMHLKBHOMH-GRIBZEQKSA-N 		9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate
(2S,3R,4S,5S,6S)-6-[(Z,9S,10S)-17-carboxy-10-hydroxyheptadec-6-en-9-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060121
OERHNMHLKBHOMH-GRIBZEQKSA-N 		9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate
(2S,3R,4S,5S,6S)-6-{[(6Z,9S,10S)-17-carboxy-10-hydroxyheptadec-6-en-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoic acid

bigg.metabolite:CE2303
biggM:CE2303
OERHNMHLKBHOMH-GRIBZEQKSA-L 		9-hydroxy-10-O-D-glucuronoside-12Z-octadecenoate

hmdb:HMDB60121
biggM:M_CE2303 		secondary/obsolete/fantasy identifier