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

ChEBI IDCHEBI:80656
ChEBI Nameall-trans-4-oxoretinoic acid
Stars
ASCII Nameall-trans-4-oxoretinoic acid
DefinitionA retinoid that consists of all-trans-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring.
Last Modified5 February 2018
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1=O
InChIInChI=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+
InChIKeyGGCUJPCCTQNTJF-FRCNGJHJSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (25492813)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
all-trans-4-oxoretinoic acidChEBI
4-oxo-atRAChEBI
4-oxo-all-trans-retinoic acidChEBI
Manual XrefsDatabases
C16678KEGG COMPOUND
HMDB0006285HMDB
Registry NumbersSources
Reaxys:2878846Reaxys
CAS:38030-57-8ChemIDplus
Citations