CHEBI:139181 - 1-O-(all-trans-retinoyl)-β-D-glucuronate

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ChEBI Name 1-O-(all-trans-retinoyl)-β-D-glucuronate
ChEBI ID CHEBI:139181
ChEBI ASCII Name 1-O-(all-trans-retinoyl)-beta-D-glucuronate
Definition A retinoid glucuronide anion that is the conjugate base of 1-O-all-trans-retinoyl-β-D-glucuronide arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information We are unable to retrieve the vendor information for this entry at this time. Please try again later.
Download Molfile XML SDF
Formula C26H35O8
Net Charge -1
Average Mass 475.552
Monoisotopic Mass 475.23374
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
InChIKey MTGFYEHKPMOVNE-NEFMKCFNSA-M
SMILES C1C(C(=C(CC1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)=O)(C)C
ChEBI Ontology
Outgoing 1-O-(all-trans-retinoyl)-β-D-glucuronate (CHEBI:139181) is a retinoid glucosiduronic acid anion (CHEBI:139186)
1-O-(all-trans-retinoyl)-β-D-glucuronate (CHEBI:139181) is conjugate base of 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870)
Incoming 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870) is conjugate acid of 1-O-(all-trans-retinoyl)-β-D-glucuronate (CHEBI:139181)
IUPAC Names
1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-β-D-glucopyranuronate
O15-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid
Synonyms Sources
1-O-(all-trans-retinoyl)-β-D-glucuronide(1−) ChEBI
all-trans-retinoyl-1-O-(β-D-glucuronate) UniProt
all-trans-retinoyl-β-glucuronide(1−) SUBMITTER
Citation Type Source
10702251 PubMed citation SUBMITTER
Last Modified
22 June 2018