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CHEBI:133742 - 17α-hydroxypregnenolone 3-sulfate(1−)

ChEBI IDCHEBI:133742
ChEBI Name17α-hydroxypregnenolone 3-sulfate(1−)
Stars
ASCII Name17alpha-hydroxypregnenolone 3-sulfate(1-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17α-hydroxypregnenolone 3-sulfate.
Last Modified20 April 2022
Submitterjjtluanloet
DownloadsMolfile
FormulaC21H31O6S
Net Charge-1
Average Mass411.540
Monoisotopic Mass411.18468
SMILES[H][C@@]12CC=C3C[C@@H](OS(=O)(=O)[O-])CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O
InChIInChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/p-1/t15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKeyOMOKWYAQVYBHMG-TVWVXWENSA-M
ChEBI Ontology
Outgoing Relation(s)
17α-hydroxypregnenolone 3-sulfate(1−) (CHEBI:133742) is a steroid sulfate oxoanion (CHEBI:59696)
17α-hydroxypregnenolone 3-sulfate(1−) (CHEBI:133742) is conjugate base of 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454)
Incoming Relation(s)
17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) is conjugate acid of 17α-hydroxypregnenolone 3-sulfate(1−) (CHEBI:133742)
IUPAC Name 
17-hydroxy-20-oxopregn-5-en-3β-yl sulfate
Synonyms  Source
17-hydroxy-pregnenolone sulfate(1−)ChEBI
17α-hydroxypregnenolone sulfate(1−)ChEBI
17-hydroxypregnenolone sulfate(1−)ChEBI
(3β)-17-hydroxy-20-oxopregn-5-en-3-yl sulfateIUPAC
17-hydroxypregnenolone 3-sulfate(1−)ChEBI
UniProt Name  Source
17α-hydroxypregnenolone 3-sulfateUniProt