3alpha-Hydroxy-androst-4-ene-17-one (CHEBI:229005)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3alpha-Hydroxy-androst-4-ene-17-one

ChEBI ID	CHEBI:229005

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H28O2

Net Charge

Average Mass

288.431

Monoisotopic Mass

288.20893

InChI

InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-16,20H,3-10H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1

InChIKey

VMYTXBKVYDESSJ-HKQXQEGQSA-N

SMILES

O=C1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=C[C@H](O)CC4)C)(CC2)[H])[H])(CC1)[H])C

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

Roles Classification
Biological Role(s):	androgen A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.

ChEBI Ontology
Outgoing	3alpha-Hydroxy-androst-4-ene-17-one (CHEBI:229005) has role androgen (CHEBI:50113) 3alpha-Hydroxy-androst-4-ene-17-one (CHEBI:229005) is a 3-hydroxy steroid (CHEBI:36834)

IUPAC Name

(3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one