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CHEBI:139255 - 9-cis-4-oxoretinoic acid

ChEBI IDCHEBI:139255
ChEBI Name9-cis-4-oxoretinoic acid
Stars
ASCII Name9-cis-4-oxoretinoic acid
DefinitionA retinoid that consists of 9-cis-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring.
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
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)/b8-6+,10-9+,14-7-,15-13+
InChIKeyGGCUJPCCTQNTJF-NAXRMXIQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (9243349) Obtained from human plasma
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
9-cis-4-oxoretinoic acid (CHEBI:139255) has functional parent 9-cis-retinoic acid (CHEBI:50648)
9-cis-4-oxoretinoic acid (CHEBI:139255) has role human xenobiotic metabolite (CHEBI:76967)
9-cis-4-oxoretinoic acid (CHEBI:139255) is a enone (CHEBI:51689)
9-cis-4-oxoretinoic acid (CHEBI:139255) is a retinoid (CHEBI:26537)
9-cis-4-oxoretinoic acid (CHEBI:139255) is conjugate acid of 9-cis-4-oxoretinoate (CHEBI:139254)
Incoming Relation(s)
9-cis-4-oxoretinoate (CHEBI:139254) is conjugate base of 9-cis-4-oxoretinoic acid (CHEBI:139255)
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-tetraenoic acid
Synonyms  Source
4-oxo-9-cis-retinoic acidSUBMITTER
9-cis-4-ketoretinoic acidChEBI
(9cis)-4-oxoretinoic acidChEBI
4-keto-9-cis-retinoic acidChEBI
Registry NumbersSources
Reaxys:7518834Reaxys
Citations