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CHEBI:139347 - all-trans-4-oxoretinal

ChEBI IDCHEBI:139347
ChEBI Nameall-trans-4-oxoretinal
Stars
ASCII Nameall-trans-4-oxoretinal
DefinitionA retinoid that is all-trans-retinal carrying an oxo substituent at position 4 on the cyclohexenyl ring.
Last Modified11 June 2019
Submitternhn
DownloadsMolfile
FormulaC20H26O2
Net Charge0
Average Mass298.426
Monoisotopic Mass298.19328
SMILES[H]C(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C
InChIInChI=1S/C20H26O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14H,11,13H2,1-5H3/b8-6+,10-9+,15-7+,16-12+
InChIKeyPLILDISEFZJECC-RMWYGNQTSA-N
Species of MetaboliteComponentSourceComments
Xenopus (ncbitaxon:8353) - PubMed (8643496)
Mus musculus (ncbitaxon:10090) - PubMed (17943179)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
all-trans-4-oxoretinal (CHEBI:139347) has functional parent all-trans-retinal (CHEBI:17898)
all-trans-4-oxoretinal (CHEBI:139347) has role mouse metabolite (CHEBI:75771)
all-trans-4-oxoretinal (CHEBI:139347) is a enal (CHEBI:51688)
all-trans-4-oxoretinal (CHEBI:139347) is a enone (CHEBI:51689)
all-trans-4-oxoretinal (CHEBI:139347) is a retinoid (CHEBI:26537)
IUPAC Name 
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
Synonyms  Source
all-trans-4-oxo-retinalSUBMITTER
4-oxoretinalChEBI
4-ketoretinalChEBI
4-OxoretinaldehydeChemIDplus
all-trans-4-ketoretinalChEBI
UniProt Name  Source
all-trans-4-oxoretinalUniProt
Registry NumbersSources
Reaxys:2508352Reaxys
CAS:33532-44-4ChemIDplus
Citations