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CHEBI:136983 - (3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate(1−)

ChEBI IDCHEBI:136983
ChEBI Name(3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate(1−)
Stars
ASCII Name(3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate(1-)
DefinitionA steroid sulfate oxoanion that is the conjugate base of (3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified27 July 2017
Submitternhn
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](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)/p-1/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1
InChIKeyKWYNDVHEQWYGIL-YSZCXEEOSA-M
ChEBI Ontology
Outgoing Relation(s)
(3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate(1−) (CHEBI:136983) is a steroid sulfate oxoanion (CHEBI:59696)
(3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate(1−) (CHEBI:136983) is conjugate base of (3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate (CHEBI:138032)
Incoming Relation(s)
(3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate (CHEBI:138032) is conjugate acid of (3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate(1−) (CHEBI:136983)
IUPAC Name 
3β-hydroxy-5α-androstan-17β-yl sulfate
Synonym  Source
5α-androstane-3β,17β diol 17-sulfate(1−)ChEBI
UniProt Name  Source
(3β,5α,17β)-3-hydroxyandrostan-17-yl sulfateUniProt
Citations