CHEBI:139185 - 1-O-(4-oxoretinoyl)-β-D-glucuronate

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ChEBI Name 1-O-(4-oxoretinoyl)-β-D-glucuronate
ChEBI ID CHEBI:139185
ChEBI ASCII Name 1-O-(4-oxoretinoyl)-beta-D-glucuronate
Definition A retinoid glucosiduronic acid anion that is the conjugate base of 1-O-(4-oxoretinoyl)-β-D-glucuronic acid arising from deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C26H33O9
Net Charge -1
Average Mass 489.536
Monoisotopic Mass 489.21301
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)/p-1/b8-6+,10-9+,14-7+,15-13+/t20-,21-,22+,23-,25+/m0/s1
InChIKey SIKFAVWPHMSCBL-QKLNHPSXSA-M
SMILES C=1(C(CCC(C1C)=O)(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-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185) is a retinoid glucosiduronic acid anion (CHEBI:139186)
1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185) is conjugate base of 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107)
Incoming 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is conjugate acid of 1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185)
IUPAC Names
1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-β-D-glucopyranuronate
O15-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]-4-oxoretinoic acid
Synonyms Sources
1-O-(4-oxoretinoyl)-β-D-glucuronide(1−) ChEBI
1-O-(all-trans-4-oxoretinoyl)-β-D-glucuronate ChEBI
1-O-(all-trans-4-oxoretinoyl)-β-D-glucuronide(1−) ChEBI
all-trans-4-oxoretinoate 1-O-(β-D-glucuronate) UniProt
Citation Waiting for Citations Type Source
10702251 PubMed citation SUBMITTER
Last Modified
05 February 2018