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CHEBI:139558 - 1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid

ChEBI IDCHEBI:139558
ChEBI Name1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid
Stars
ASCII Name1-O-(5,6-epoxyretinoyl)-beta-D-glucuronic acid
DefinitionA retinoid that is 5,6-epoxyretinoic acid in which the carboxy proton has been replaced by a β-D-glucuronyl residue.
Last Modified1 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC26H36O9
Net Charge0
Average Mass492.565
Monoisotopic Mass492.23593
SMILESCC(/C=C/C12OC1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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)/b9-6+,13-10+,15-8+,16-14+/t18-,19-,20+,21-,23+,25?,26?/m0/s1
InChIKeyBZPOQLONXBJGAZ-WSPRJJCZSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (7082654)
Roles Classification
Biological Role:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558) has functional parent 5,6-epoxyretinoic acid (CHEBI:80658)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558) has role rat metabolite (CHEBI:86264)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558) is a epoxide (CHEBI:32955)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558) is a retinoid (CHEBI:26537)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558) is a β-D-glucosiduronic acid (CHEBI:15341)
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)
Incoming Relation(s)
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)
Synonyms  Source
1-O-(5,6-epoxyretinoyl)-β-D-glucuronideChEBI
1-O-(all-trans-5,6-epoxyretinoyl)-β-D-glucuronic acidChEBI
1-O-(all-trans-5,6-epoxyretinoyl)-β-D-glucuronideChEBI
5,6-Epoxyretinoyl glucuronideChemIDplus
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-glucopyranuronic acidChEBI
5,6-epoxyretinoic acid glucuronideChEBI
Registry NumbersSources
Reaxys:24291587Reaxys
CAS:81164-05-8ChemIDplus
Citations