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CHEBI:137110 - 17β-hydroxy-5α-estr-1(10)-en-3-one

ChEBI IDCHEBI:137110
ChEBI Name17β-hydroxy-5α-estr-1(10)-en-3-one
Stars
ASCII Name17beta-hydroxy-5alpha-estr-1(10)-en-3-one
DefinitionA 3-oxo-5α-steroid that is 5α-estrane which is substituted by an oxo group at position 3, a hydroxy group at the 17β position, and which has a double bond between positions 1 and 10. It is a 19-norsteroid arising from successive oxidation of dihydrotestosterone at C19.
Last Modified6 June 2017
Submitternhn
DownloadsMolfile
FormulaC18H26O2
Net Charge0
Average Mass274.404
Monoisotopic Mass274.19328
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])C1=CCC(=O)C2
InChIInChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h5,11,14-17,20H,2-4,6-10H2,1H3/t11-,14+,15+,16-,17-,18-/m0/s1
InChIKeyNIELHBRGWMDPDV-PONDEJGUSA-N
ChEBI Ontology
Outgoing Relation(s)
17β-hydroxy-5α-estr-1(10)-en-3-one (CHEBI:137110) is a 17β-hydroxy steroid (CHEBI:35343)
17β-hydroxy-5α-estr-1(10)-en-3-one (CHEBI:137110) is a 3-oxo-5α-steroid (CHEBI:13601)
17β-hydroxy-5α-estr-1(10)-en-3-one (CHEBI:137110) is a C18-steroid (CHEBI:131591)
IUPAC Name 
17β-hydroxy-5α-estr-1(10)-en-3-one
Synonyms  Source
(5α,17β)-17-hydroxyestr-1(10)-en-3-oneIUPAC
Δ1,10-dehydro 19-nordihydrotestosteroneChEBI
UniProt Name  Source
17β-hydroxy-3-oxo-19-nor-5α-androst-1-eneUniProt
Registry NumbersSources
Reaxys:2621103Reaxys
Citations