CHEBI:132260 - all-trans-3,4-didehydroretinoate(1−)

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ChEBI Name all-trans-3,4-didehydroretinoate(1−) ChEBI ID CHEBI:132260 ChEBI ASCII Name all-trans-3,4-didehydroretinoate(1-) Definition A monocarboxylic acid anion derived from 3,4-desaturation of β-ionone ring of all-trans-retinoate; major species at pH 7.3. 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 C20H25O2 Net Charge -1 Average Mass 297.412 Monoisotopic Mass 297.18600 InChI InChI=1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6-12,14H,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+ InChIKey SYESMXTWOAQFET-YCNIQYBTSA-M SMILES C1(C)(C)CC=CC(=C1/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C)C Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing all-trans-3,4-didehydroretinoate(1−) (CHEBI:132260) has functional parent all-trans-retinoate (CHEBI:35291) all-trans-3,4-didehydroretinoate(1−) (CHEBI:132260) has role human xenobiotic metabolite (CHEBI:76967) all-trans-3,4-didehydroretinoate(1−) (CHEBI:132260) is a monocarboxylic acid anion (CHEBI:35757) IUPAC Name 15-oxido-3,4-didehydroretinal Synonym Source all-trans-3,4-didehydroretinoate UniProt Citation Type Source 27059013 PubMed citation SUBMITTER Last Modified 07 June 2017