CHEBI:84107 - 1-O-(4-oxoretinoyl)-β-D-glucuronic acid

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ChEBI Name 1-O-(4-oxoretinoyl)-β-D-glucuronic acid
ChEBI ID CHEBI:84107
ChEBI ASCII Name 1-O-(4-oxoretinoyl)-beta-D-glucuronic acid
Definition A ketoretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-oxoretinoic acid with β-glucuronic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H34O9
Net Charge 0
Average Mass 490.54280
Monoisotopic Mass 490.22028
InChI InChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(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/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/b8-6+,10-9+,14-7+,15-13+/t20-,21-,22+,23-,25+/m0/s1
InChIKey SIKFAVWPHMSCBL-QKLNHPSXSA-N
SMILES C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
(via ketoretinoic acid glucuronide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) has functional parent all-trans-4-oxoretinoic acid (CHEBI:80656)
1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is a β-D-glucosiduronic acid (CHEBI:15341)
1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is a enone (CHEBI:51689)
1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is a ketoretinoic acid glucuronide (CHEBI:84105)
1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is conjugate acid of 1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185)
Incoming 1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185) is conjugate base of 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107)
IUPAC Name
O15-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4-oxoretinoic acid
Synonyms Sources
1-O-(4-oxoretinoyl)-β-D-glucuronide ChEBI
1-O-(all-trans-4-oxoretinoyl)-β-D-glucuronic acid ChEBI
1-O-(all-trans-4-oxoretinoyl)-β-D-glucuronide ChEBI
Registry Number Type Source
7523383 Reaxys Registry Number Reaxys
Last Modified
05 February 2018