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all-trans-retinoyl-1-O-(beta-D-glucuronate)

Properties

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Occurences in reactions

MNX_ID

MNXM737977

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

formula

C₂₆H₃₅O₈

charge

-1

mass

475.23374

reference

chebi:139181

InChIKey

MTGFYEHKPMOVNE-NEFMKCFNSA-M

InChI

InChI=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)/p-1/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1

SMILES

CC1=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

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:139181 chebi:139181	all-trans-retinoyl-1-O-(beta-D-glucuronate) 1-O-(all-trans-retinoyl)-beta-D-glucuronate 1-O-(all-trans-retinoyl)-beta-D-glucuronide(1-) 1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronate O(15)-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid all-trans-retinoyl-beta-glucuronide(1-)
CHEBI:28870 chebi:28870	1-O-all-trans-retinoyl-beta-glucuronic acid 1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronic acid O(15)-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid Retinoyl glucuronide all-trans-Retinoyl-beta-glucuronide
hmdb:HMDB0003141	Retinoyl b-glucuronide (2S,3S,4S,5R,6S)-6-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 13-cis-Retinoate 13-cis-Retinoic acid 13-cis-Retinoic acid acyl beta-D-glucuronide 13-cis-Retinoic acid acyl beta-delta-glucuronide 13-cis-Retinoyl glucuronide 13-cis-Retinoyl-beta-D-glucuronide 13-cis-Retinoyl-beta-delta-glucuronide 13-cis-Retinoyl-beta-glucuronide 9-cis-Retinoyl-beta-D-glucuronide 9-cis-Retinoyl-beta-delta-glucuronide Glucuronide Retinoate Retinoic acid Retinoic acid beta-D-glucuronide Retinoic acid beta-delta-glucuronide Retinoyl beta-glucuronide Retinoyl glucuronide Retinoyl-beta-glucuronide all-trans-Retinoyl-b-glucuronide all-trans-Retinoyl-beta-D-glucuronide all-trans-Retinoyl-beta-delta-glucuronide all-trans-Retinoyl-beta-glucuronide glucuronide trans-Retinoyl glucuronide
seed.compound:cpd07945 seedM:cpd07945	Retinoyl glucuronide all-trans-Retinoyl-beta-glucuronide
sabiork.compound:13139 sabiorkM:13139 kegg.compound:C11061 keggC:C11061	all-trans-Retinoyl-beta-glucuronide Retinoyl glucuronide
hmdb:HMDB03141 chebi:10196 chebi:22350 keggC:M_C11061 seedM:M_cpd07945	secondary/obsolete/fantasy identifier