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
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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:txidtxid9606) 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
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Registry Numbers Types Sources
2878846 Reaxys Registry Number Reaxys
38030-57-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
2051220 PubMed citation Europe PMC
25492813 PubMed citation Europe PMC
2772923 PubMed citation Europe PMC
435468 PubMed citation Europe PMC
Last Modified
05 February 2018