equilenin (CHEBI:34739)

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ChEBI Name	equilenin

ChEBI ID	CHEBI:34739

Definition	A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women.

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

Secondary ChEBI IDs	CHEBI:42458

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Formula

C18H18O2

Net Charge

Average Mass

266.340

Monoisotopic Mass

266.13068

InChI

InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1

InChIKey

PDRGHUMCVRDZLQ-WMZOPIPTSA-N

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals.

ChEBI Ontology
Outgoing	equilenin (CHEBI:34739) has role antioxidant (CHEBI:22586) equilenin (CHEBI:34739) has role mammalian metabolite (CHEBI:75768) equilenin (CHEBI:34739) is a 17-oxo steroid (CHEBI:19168) equilenin (CHEBI:34739) is a 3-hydroxy steroid (CHEBI:36834)

IUPAC Name

3-hydroxyestra-1(10),2,4,6,8-pentaen-17-one

Synonyms	Sources
(+)-equilenin	NIST Chemistry WebBook
(3aS,11aS)-7-hydroxy-11a-methyl-2,3,3a,10,11,11a-hexahydro-1H-cyclopenta[a]phenanthren-1-one	IUPAC
3-hydroxyestra-1,3,5(10),6,8-pentaen-17-one	KEGG COMPOUND
3-hydroxyestra-1,3,5,7,9-pentaen-17-one	ChEBI
6,8-didehydroestrone	ChEBI
d-3-hydroxy-1,3,5(10),6,8-estrapentaen-17-one	ChEBI
d-equilenin	NIST Chemistry WebBook
equilenine	NIST Chemistry WebBook

Last Modified

14 October 2020