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CHEBI:87435 - 11-cis-retinoate

ChEBI IDCHEBI:87435
ChEBI Name11-cis-retinoate
Stars
ASCII Name11-cis-retinoate
DefinitionA retinoate that is the conjugate base of 11-cis-retinoic acid, obtaained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified24 February 2017
Submitterlaimo
DownloadsMolfile
FormulaC20H27O2
Net Charge-1
Average Mass299.434
Monoisotopic Mass299.20165
SMILESCC1=C(/C=C/C(C)=C/C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC1
InChIInChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6-,12-11+,15-8+,16-14+
InChIKeySHGAZHPCJJPHSC-JPXMXQIXSA-M
ChEBI Ontology
Outgoing Relation(s)
11-cis-retinoate (CHEBI:87435) is a retinoate (CHEBI:15036)
11-cis-retinoate (CHEBI:87435) is conjugate base of 11-cis-retinoic acid (CHEBI:46856)
Incoming Relation(s)
11-cis-retinoic acid (CHEBI:46856) is conjugate acid of 11-cis-retinoate (CHEBI:87435)
IUPAC Name 
(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
UniProt Name  Source
11-cis-retinoateUniProt