CHEBI:80656 - all-trans-4-oxoretinoic acid

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ChEBI Name all-trans-4-oxoretinoic acid ChEBI ID CHEBI:80656 ChEBI ASCII Name all-trans-4-oxoretinoic acid Definition A retinoid that consists of all-trans-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB91235565, eMolecules:27521438, ZINC000013415989 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H26O3 Net Charge 0 Average Mass 314.41860 Monoisotopic Mass 314.18819 InChI InChI=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+ InChIKey GGCUJPCCTQNTJF-FRCNGJHJSA-N SMILES C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Metabolite of Species Details Homo Sapiens (NCBI:txid9606) See: PubMed 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-4-oxoretinoic acid (CHEBI:80656) has functional parent all-trans-retinoic acid (CHEBI:15367) all-trans-4-oxoretinoic acid (CHEBI:80656) has role human xenobiotic metabolite (CHEBI:76967) all-trans-4-oxoretinoic acid (CHEBI:80656) is a enone (CHEBI:51689) all-trans-4-oxoretinoic acid (CHEBI:80656) is a retinoid (CHEBI:26537) Incoming 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) has functional parent all-trans-4-oxoretinoic acid (CHEBI:80656) IUPAC Name 4-oxoretinoic acid Synonyms Sources 4-oxo-all-trans-retinoic acid ChEBI 4-oxo-atRA ChEBI all-trans-4-oxoretinoic acid ChEBI Manual Xrefs Databases C16678 KEGG COMPOUND HMDB0006285 HMDB View more database links Registry Numbers Types Sources 2878846 Reaxys Registry Number Reaxys 38030-57-8 CAS Registry Number ChemIDplus Citations Last Modified 05 February 2018