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CHEBI:139183 - 5,6-epoxyretinoate

ChEBI IDCHEBI:139183
ChEBI Name5,6-epoxyretinoate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 5,6-epoxyretinoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H27O3
Net Charge-1
Average Mass315.433
Monoisotopic Mass315.19657
SMILESCC(/C=C/C12OC1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)[O-]
InChIInChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/p-1/b9-6+,13-10+,15-8+,16-14+
InChIKeyKEEHJLBAOLGBJZ-WEDZBJJJSA-M
ChEBI Ontology
Outgoing Relation(s)
5,6-epoxyretinoate (CHEBI:139183) is a monocarboxylic acid anion (CHEBI:35757)
5,6-epoxyretinoate (CHEBI:139183) is a retinoid anion (CHEBI:139589)
5,6-epoxyretinoate (CHEBI:139183) is conjugate base of 5,6-epoxyretinoic acid (CHEBI:80658)
Incoming Relation(s)
5,6-epoxyretinoic acid (CHEBI:80658) is conjugate acid of 5,6-epoxyretinoate (CHEBI:139183)
IUPAC Name 
(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-tetraenoate
Synonym  Source
all-trans-5,6-epoxyretinoateChEBI
UniProt Name  Source
all-trans-5,6-epoxyretinoateUniProt
Citations