EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139254 - 9-cis-4-oxoretinoate

ChEBI IDCHEBI:139254
ChEBI Name9-cis-4-oxoretinoate
Stars
ASCII Name9-cis-4-oxoretinoate
DefinitionA retinoid anion that is the conjugate base of 9-cis-4-oxoretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H25O3
Net Charge-1
Average Mass313.417
Monoisotopic Mass313.18092
SMILESCC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC1=O
InChIInChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7-,15-13+
InChIKeyGGCUJPCCTQNTJF-NAXRMXIQSA-M
ChEBI Ontology
Outgoing Relation(s)
9-cis-4-oxoretinoate (CHEBI:139254) is a oxo monocarboxylic acid anion (CHEBI:35902)
9-cis-4-oxoretinoate (CHEBI:139254) is a retinoid anion (CHEBI:139589)
9-cis-4-oxoretinoate (CHEBI:139254) is conjugate base of 9-cis-4-oxoretinoic acid (CHEBI:139255)
Incoming Relation(s)
9-cis-4-oxoretinoic acid (CHEBI:139255) is conjugate acid of 9-cis-4-oxoretinoate (CHEBI:139254)
IUPAC Name 
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
Synonyms  Source
4-oxo-9-cis-retinoate(1−)SUBMITTER
9-cis-4-ketoretinoateChEBI
(9cis)-4-oxoretinoateChEBI
UniProt Name  Source
9-cis-4-oxoretinoateUniProt
Citations