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CHEBI:85816 - (3β,5α,7α)-3,7-dihydroxyandrostan-17-one

ChEBI IDCHEBI:85816
ChEBI Name(3β,5α,7α)-3,7-dihydroxyandrostan-17-one
Stars
ASCII Name(3beta,5alpha,7alpha)-3,7-dihydroxyandrostan-17-one
DefinitionA 17-oxo steroid that is 5α-androstan-17-one substituted by a β-hydroxy group at positions 3 and an α-hydroxy group at position 7.
Last Modified19 June 2015
Submitternhn
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILES[H][C@]12C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,17+,18+,19+/m1/s1
InChIKeyVFPMCLQMAUVEHD-KMQZSKAMSA-N
ChEBI Ontology
Outgoing Relation(s)
(3β,5α,7α)-3,7-dihydroxyandrostan-17-one (CHEBI:85816) is a 17-oxo steroid (CHEBI:19168)
(3β,5α,7α)-3,7-dihydroxyandrostan-17-one (CHEBI:85816) is a 3β-hydroxy steroid (CHEBI:36836)
(3β,5α,7α)-3,7-dihydroxyandrostan-17-one (CHEBI:85816) is a 7α-hydroxy steroid (CHEBI:36843)
UniProt Name  Source
3β,7α-dihydroxy-5α-androstan-17-oneUniProt
Registry NumbersSources
Reaxys:2057329Reaxys
Citations