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CHEBI:133110 - (3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate(1−)

ChEBI IDCHEBI:133110
ChEBI Name(3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate(1−)
Stars
ASCII Name(3alpha,5alpha,17beta)-17-hydroxyandrostan-3-yl sulfate(1-)
DefinitionA steroid sulfate oxoanion that is the conjugate base of (3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified22 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H31O5S
Net Charge-1
Average Mass371.519
Monoisotopic Mass371.18977
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)/p-1/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
InChIKeyLERFMBCTNMFXCT-KHOSGYARSA-M
ChEBI Ontology
Outgoing Relation(s)
(3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate(1−) (CHEBI:133110) is a steroid sulfate oxoanion (CHEBI:59696)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
17β-hydroxy-5α-androstan-3α-yl sulfate
Synonyms  Source
5alpha-androstan-3alpha,17beta-diol 3-monosulfateChEBI
5α-androstane-3α,17β-diol 3-monosulfateChEBI
5alpha-androstan-3alpha,17beta-diol monosulfateChEBI