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CHEBI:133103 - (3α,5α,17β)-3-hydroxyandrostan-17-yl sulfate

ChEBI IDCHEBI:133103
ChEBI Name(3α,5α,17β)-3-hydroxyandrostan-17-yl sulfate
Stars
ASCII Name(3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate
DefinitionAn androstane sulfate that is 5α-androstan-3α,17β-diol in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group.
Last Modified10 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H32O5S
Net Charge0
Average Mass372.527
Monoisotopic Mass372.19705
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OS(=O)(=O)O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C19H32O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
InChIKeyKWYNDVHEQWYGIL-KHOSGYARSA-N
ChEBI Ontology
Outgoing Relation(s)
(3α,5α,17β)-3-hydroxyandrostan-17-yl sulfate (CHEBI:133103) is a 3α-hydroxy steroid (CHEBI:36835)
(3α,5α,17β)-3-hydroxyandrostan-17-yl sulfate (CHEBI:133103) is a androstane sulfate (CHEBI:131647)
(3α,5α,17β)-3-hydroxyandrostan-17-yl sulfate (CHEBI:133103) is conjugate acid of (3α,5α,17β)-3-hydroxyandrostan-17-yl sulfate(1−) (CHEBI:133105)
Incoming Relation(s)
(3α,5α,17β)-3-hydroxyandrostan-17-yl sulfate(1−) (CHEBI:133105) is conjugate base of (3α,5α,17β)-3-hydroxyandrostan-17-yl sulfate (CHEBI:133103)
IUPAC Name 
3α-hydroxy-5α-androstan-17β-yl hydrogen sulfate
Synonyms  Source
5α-androstane-3α,17β-diol 17-monosulfateChEBI
Androstane-3,17-diol 17-sulfateChemIDplus
Registry NumbersSources
Reaxys:21955171Reaxys
CAS:24869-99-6ChemIDplus