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CHEBI:133109 - (3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate

ChEBI IDCHEBI:133109
ChEBI Name(3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate
Stars
ASCII Name(3alpha,5alpha,17beta)-17-hydroxyandrostan-3-yl sulfate
DefinitionAn androstane sulfate that is 5α-androstan-3α,17β-diol in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.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](O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C2
InChIInChI=1S/C19H32O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)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
InChIKeyLERFMBCTNMFXCT-KHOSGYARSA-N
ChEBI Ontology
Outgoing Relation(s)
(3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate (CHEBI:133109) is a 17β-hydroxy steroid (CHEBI:35343)
(3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate (CHEBI:133109) is a 5α-androstane-3β,17β-diol monosulfate(1−) (CHEBI:133711)
(3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate (CHEBI:133109) is a androstane sulfate (CHEBI:131647)
(3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate (CHEBI:133109) is conjugate acid of (3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate(1−) (CHEBI:133110)
Incoming Relation(s)
(3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate(1−) (CHEBI:133110) is conjugate base of (3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate (CHEBI:133109)
IUPAC Name 
17β-hydroxy-5α-androstan-3α-yl hydrogen sulfate
Synonym  Source
5α-androstane-3α,17β-diol 3-monosulfateChEBI
Registry NumbersSources
Reaxys:15639962Reaxys