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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3α,5α,17β)-17-hydroxyandrostan-3-yl sulfate
ChEBI ID CHEBI:133109
ChEBI ASCII Name (3alpha,5alpha,17beta)-17-hydroxyandrostan-3-yl sulfate
Definition An androstane sulfate that is 5α-androstan-3α,17β-diol in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H32O5S
Net Charge 0
Average Mass 372.521
Monoisotopic Mass 372.19705
InChI InChI=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
InChIKey LERFMBCTNMFXCT-KHOSGYARSA-N
SMILES C1[C@@]2([C@@]([C@@]3([C@](C[C@H](OS(O)(=O)=O)CC3)(C1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])O)C)[H])[H]
ChEBI Ontology
Outgoing (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 (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-monosulfate ChEBI
Registry Number Type Source
15639962 Reaxys Registry Number Reaxys
Last Modified
10 October 2016