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9-cis-retinoyl-beta-D-glucuronide

MNXM91293 is deprecated and here replaced by MNXM1137676
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1137676 Image of MNXM1137676
referencechebi:172945
formulaC26H36O8
global charge0
mol weight476.566
InChIKeyMTGFYEHKPMOVNE-RDMMYANXSA-N
InChIInChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8-,16-14+/t20-,21-,22+,23-,25+/m0/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)CCC1
MNX internals
InChI (mnx)InChI=1/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8-,16-14+/t20-,21-,22+,23-,25+/m0/s1 Image of MNXM1137676
SMILES (mnx)[CH3:1][C:15](=[CH:8]/[CH:6]=[CH:9]/[C:16]([CH3:2])=[CH:14]/[C:19](=[O:27])[O:33][C@H:25]1[C@H:22]([OH:30])[C@@H:20]([OH:28])[C@H:21]([OH:29])[C@@H:23]([C:24](=[O:31])[OH:32])[O:34]1)/[CH:11]=[CH:12]/[C:18]1=[C:17]([CH3:3])[CH2:10][CH2:7][CH2:13][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:172945
chebi:172945
MTGFYEHKPMOVNE-RDMMYANXSA-N 		9-cis-retinoyl-beta-D-glucuronide
(9Z)-retinoic acid beta-D-glucopyranuronosyl ester
(9Z)-retinoyl-beta-D-glucuronide
(9Z)-retinoyl-beta-D-glucuronopyranoside
(9cis)-O(15)-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]retinoic acid
(9cis)-O(15)-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid
1-O-(9-cis-retinoyl)-beta-D-glucuronic acid

bigg.metabolite:CE5756
biggM:CE5756
MTGFYEHKPMOVNE-RDMMYANXSA-N 		9-cis-retinoyl-beta-D-glucuronide

biggM:M_CE5756 		secondary/obsolete/fantasy identifier