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4-Oxo-9-cis-retinoyl-beta-glucuronide

PropertiesImage
MNX_IDMNXM729398 Image of MNXM729398
referencechebi:177955
formulaC26H34O9
global charge0
mol weight490.549
InChIKeyXEIKLAKHCVSUMR-CAHRZYSUSA-N
InChIInChI=1S/C26H34O9/c1-14(9-11-17-16(3)10-12-18(27)26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-9,11,13,20-23,25,29-31H,10,12H2,1-5H3,(H,32,33)/b8-6+,11-9+,14-7-,15-13+/t20-,21+,22-,23-,25-/m1/s1
SMILESCC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)C(=O)CC1
MNX internals
InChI (mnx)InChI=1/C26H34O9/c1-14(9-11-17-16(3)10-12-18(27)26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-9,11,13,20-23,25,29-31H,10,12H2,1-5H3,(H,32,33)/b8-6+,11-9+,14-7-,15-13+/t20-,21+,22-,23-,25-/m1/s1 Image of MNXM729398
SMILES (mnx)[CH3:1][C:14](=[CH:7]/[CH:6]=[CH:8]/[C:15]([CH3:2])=[CH:13]/[C:19](=[O:28])[O:34][C@H:25]1[C@H:22]([OH:31])[C@H:20]([OH:29])[C@H:21]([OH:30])[C@H:23]([C:24](=[O:32])[OH:33])[O:35]1)/[CH:9]=[CH:11]/[C:17]1=[C:16]([CH3:3])[CH2:10][CH2:12][C:18](=[O:27])[C:26]1([CH3:4])[CH3:5]
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:177955
chebi:177955
XEIKLAKHCVSUMR-CAHRZYSUSA-N 		4-Oxo-9-cis-retinoyl-beta-glucuronide
(2R,3S,4R,5R,6S)-6-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-5-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060122
XEIKLAKHCVSUMR-CAHRZYSUSA-N 		4-Oxo-9-cis-retinoyl-beta-glucuronide
(2R,3S,4R,5R,6S)-6-{[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
4-oxo-9-cis-Retinoyl-b-glucuronide
4-oxo-9-cis-Retinoyl-beta-glucuronide

bigg.metabolite:CE5757
biggM:CE5757
XEIKLAKHCVSUMR-WJXONIKOSA-M 		4-oxo-9-cis-retinoyl-beta-glucuronide

hmdb:HMDB60122
biggM:M_CE5757 		secondary/obsolete/fantasy identifier