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CHEBI:44597 - all-trans-4-oxoretinol

ChEBI IDCHEBI:44597
ChEBI Nameall-trans-4-oxoretinol
Stars
ASCII Nameall-trans-4-oxoretinol
DefinitionA retinoid that is all-trans-retinol in which the hydrogens at position 4 have been replaced by an oxo group.
Last Modified11 June 2019
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1=O
InChIInChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+
InChIKeyPLIUCYCUYQIBDZ-RMWYGNQTSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
all-trans-4-oxoretinol (CHEBI:44597) has functional parent all-trans-retinol (CHEBI:17336)
all-trans-4-oxoretinol (CHEBI:44597) has role antineoplastic agent (CHEBI:35610)
all-trans-4-oxoretinol (CHEBI:44597) is a cyclic ketone (CHEBI:3992)
all-trans-4-oxoretinol (CHEBI:44597) is a enone (CHEBI:51689)
all-trans-4-oxoretinol (CHEBI:44597) is a primary allylic alcohol (CHEBI:134394)
all-trans-4-oxoretinol (CHEBI:44597) is a retinoid (CHEBI:26537)
IUPAC Name 
4-oxoretinol
Synonyms  Source
4-ketoretinolChemIDplus
4-oxoretinolChemIDplus
all-trans-4-oxoretinolChEBI
4-oxo-ROLChEBI
UniProt Name  Source
all-trans-4-oxoretinolUniProt
Manual XrefsDatabases
OXRPDBeChem
C16683KEGG COMPOUND
HMDB0012329HMDB
DB02699DrugBank
US6150421Patent
Registry NumbersSources
Reaxys:14831438Reaxys
CAS:62702-55-0KEGG COMPOUND
CAS:62702-55-0ChemIDplus
Citations