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

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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

Download	Molfile XML SDF

Formula

C20H26O3

Net Charge

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.

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

Last Modified

05 February 2018