androsta-1,4,6-triene-3,17-dione (CHEBI:131190)

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ChEBI Name	androsta-1,4,6-triene-3,17-dione

ChEBI ID	CHEBI:131190

Definition	An androstanoid that is androsta-1,4,6-triene substituted by oxo groups at positions 3 and 17.

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

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Formula

C19H22O2

Net Charge

Average Mass

282.377

Monoisotopic Mass

282.16198

InChI

InChI=1S/C19H22O2/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/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

InChIKey

DKVSUQWCZQBWCP-QAGGRKNESA-N

SMILES

C=1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C=CC2=CC(C1)=O)[H])(CCC4=O)[H])C)[H])C

Roles Classification
Biological Role(s):	EC 1.14.14.14 (aromatase) inhibitor An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology
Outgoing	androsta-1,4,6-triene-3,17-dione (CHEBI:131190) has role EC 1.14.14.14 (aromatase) inhibitor (CHEBI:50790) androsta-1,4,6-triene-3,17-dione (CHEBI:131190) has role human xenobiotic metabolite (CHEBI:76967) androsta-1,4,6-triene-3,17-dione (CHEBI:131190) is a 17-oxo steroid (CHEBI:19168) androsta-1,4,6-triene-3,17-dione (CHEBI:131190) is a 3-oxo-Δ¹,Δ⁴-steroid (CHEBI:77166) androsta-1,4,6-triene-3,17-dione (CHEBI:131190) is a androstanoid (CHEBI:50402)

IUPAC Name

androsta-1,4,6-triene-3,17-dione

Last Modified

26 February 2016