CHEBI:139184 - 1-O-(5,6-epoxyretinoyl)-β-D-glucuronate

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ChEBI Name 1-O-(5,6-epoxyretinoyl)-β-D-glucuronate
ChEBI ID CHEBI:139184
ChEBI ASCII Name 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronate
Definition A retinoid glucuronide anion that is the conjugate base of 1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid 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
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Formula C26H35O9
Net Charge -1
Average Mass 491.552
Monoisotopic Mass 491.22866
InChI InChI=1S/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/p-1/b9-6+,13-10+,15-8+,16-14+/t18-,19-,20+,21-,23+,25?,26?/m0/s1
InChIKey BZPOQLONXBJGAZ-WSPRJJCZSA-M
SMILES C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)=O)/C)/C
ChEBI Ontology
Outgoing 1-O-(5,6-epoxyretinoyl)-β-D-glucuronate (CHEBI:139184) is a retinoid glucosiduronic acid anion (CHEBI:139186)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronate (CHEBI:139184) is conjugate base of 1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558)
Incoming 1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558) is conjugate acid of 1-O-(5,6-epoxyretinoyl)-β-D-glucuronate (CHEBI:139184)
IUPAC Name
1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoyl]-β-D-glucopyranuronate
Synonyms Sources
1-O-(5,6-epoxyretinoyl)-β-D-glucuronide(1−) ChEBI
1-O-(all-trans-5,6-epoxyretinoyl)-β-D-glucuronate ChEBI
1-O-(all-trans-5,6-epoxyretinoyl)-β-D-glucuronide(1−) ChEBI
all-trans-5,6-epoxyretinoyl-1-O-(β-D-glucuronate) UniProt
Citation Waiting for Citations Type Source
10702251 PubMed citation SUBMITTER
Last Modified
07 June 2018