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CHEBI:85278 - 17β-hydroxyandrostan-3-one

ChEBI IDCHEBI:85278
ChEBI Name17β-hydroxyandrostan-3-one
Stars
ASCII Name17beta-hydroxyandrostan-3-one
DefinitionA 17β-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.
Last Modified19 May 2015
Submitterlaimo
DownloadsMolfile
FormulaC19H30O2
Net Charge0
Average Mass290.447
Monoisotopic Mass290.22458
SMILES[H][C@@]12CCC3CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12?,14-,15-,16-,17-,18-,19-/m0/s1
InChIKeyNVKAWKQGWWIWPM-QHDNXLQLSA-N
ChEBI Ontology
Outgoing Relation(s)
17β-hydroxyandrostan-3-one (CHEBI:85278) has parent hydride androstane (CHEBI:35509)
17β-hydroxyandrostan-3-one (CHEBI:85278) is a 17β-hydroxy steroid (CHEBI:35343)
17β-hydroxyandrostan-3-one (CHEBI:85278) is a 3-oxo steroid (CHEBI:47788)
Incoming Relation(s)
17β-hydroxy-5α-androstan-3-one (CHEBI:16330) is a 17β-hydroxyandrostan-3-one (CHEBI:85278)
5β-dihydrotestosterone (CHEBI:2150) is a 17β-hydroxyandrostan-3-one (CHEBI:85278)
IUPAC Name 
(17β)-17-hydroxyandrostan-3-one
Synonym  Source
dihydrotestosteroneSUBMITTER
UniProt Name  Source
17β-hydroxyandrostanoneUniProt
Registry NumbersSources
CAS:29873-50-5ChemIDplus