CHEBI:139347 - all-trans-4-oxoretinal

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ChEBI Name all-trans-4-oxoretinal ChEBI ID CHEBI:139347 ChEBI ASCII Name all-trans-4-oxoretinal Definition A retinoid that is all-trans-retinal carrying an oxo substituent at position 4 on the cyclohexenyl ring. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H26O2 Net Charge 0 Average Mass 298.420 Monoisotopic Mass 298.19328 InChI InChI=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+ InChIKey PLILDISEFZJECC-RMWYGNQTSA-N SMILES C1(C)(C)C(\C=C\C(=C\C=C\C(=C\C(=O)[H])\C)\C)=C(C)C(CC1)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Xenopus (NCBI:txid8353) See: PubMed Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 4-ketoretinal ChEBI 4-oxoretinal ChEBI 4-Oxoretinaldehyde ChemIDplus all-trans-4-ketoretinal ChEBI all-trans-4-oxo-retinal SUBMITTER all-trans-4-oxoretinal UniProt Registry Numbers Types Sources 2508352 Reaxys Registry Number Reaxys 33532-44-4 CAS Registry Number ChemIDplus Citations Types Sources 10415093 PubMed citation Europe PMC 12528465 PubMed citation Europe PMC 15369820 PubMed citation SUBMITTER 1775535 PubMed citation Europe PMC 17943179 PubMed citation Europe PMC 8643496 PubMed citation Europe PMC Last Modified 11 June 2019