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CHEBI:34739 - equilenin

ChEBI IDCHEBI:34739
ChEBI Nameequilenin
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:42458
Last Modified14 October 2020
DownloadsMolfile
FormulaC18H18O2
Net Charge0
Average Mass266.340
Monoisotopic Mass266.13068
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CCc1c2ccc2cc(O)ccc12
InChIInChI=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
InChIKeyPDRGHUMCVRDZLQ-WMZOPIPTSA-N
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
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  Source
(+)-equileninNIST Chemistry WebBook
3-hydroxyestra-1,3,5(10),6,8-pentaen-17-oneKEGG COMPOUND
(3aS,11aS)-7-hydroxy-11a-methyl-2,3,3a,10,11,11a-hexahydro-1H-cyclopenta[a]phenanthren-1-oneIUPAC
equilenineNIST Chemistry WebBook
d-equileninNIST Chemistry WebBook
d-3-hydroxy-1,3,5(10),6,8-estrapentaen-17-oneChEBI
Manual XrefsDatabases
C14303KEGG COMPOUND
EQUPDBeChem
LMST02010007LIPID MAPS
DB03515DrugBank
EquileninWikipedia
EP0944391Patent
Registry NumbersSources
CAS:517-09-9KEGG COMPOUND
CAS:517-09-9ChemIDplus
CAS:517-09-9NIST Chemistry WebBook
Citations