all-trans-4-oxoretinol (CHEBI:44597)

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ChEBI Name	all-trans-4-oxoretinol

ChEBI ID	CHEBI:44597

ChEBI ASCII Name	all-trans-4-oxoretinol

Definition	A retinoid that is all-trans-retinol in which the hydrogens at position 4 have been replaced by an oxo group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

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Formula

C20H28O2

Net Charge

Average Mass

300.436

Monoisotopic Mass

300.20893

InChI

InChI=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+

InChIKey

PLIUCYCUYQIBDZ-RMWYGNQTSA-N

SMILES

C1(=C(C(CCC1(C)C)=O)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C

Roles Classification
Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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

Registry Numbers

Types

Sources

14831438

Note: (2018-02-01) Structure in Reaxys does not match the name.

Reaxys Registry Number

Reaxys

62702-55-0

CAS Registry Number

ChemIDplus

Last Modified

11 June 2019