CHEBI:133000 - pregnenolone sulfate(1−)

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ChEBI Name pregnenolone sulfate(1−)
ChEBI ID CHEBI:133000
ChEBI ASCII Name pregnenolone sulfate(1-)
Definition A steroid sulfate oxoanion that is the conjugate base of pregnenolone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H31O5S
Net Charge -1
Average Mass 395.535
Monoisotopic Mass 395.18977
InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/p-1/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey DIJBBUIOWGGQOP-QGVNFLHTSA-M
SMILES C1[C@@]2([C@]3(CC[C@]4(C)[C@@H](C(C)=O)CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS([O-])(=O)=O)[H])[H])[H])C
ChEBI Ontology
Outgoing pregnenolone sulfate(1−) (CHEBI:133000) is a steroid sulfate oxoanion (CHEBI:59696)
pregnenolone sulfate(1−) (CHEBI:133000) is conjugate base of pregnenolone sulfate (CHEBI:35420)
Incoming pregnenolone sulfate (CHEBI:35420) is conjugate acid of pregnenolone sulfate(1−) (CHEBI:133000)
IUPAC Name
20-oxopregn-5-en-3β-yl sulfate
Synonyms Sources
(3β)-20-oxopregn-5-en-3-yl sulfate IUPAC
pregnenolone sulfate UniProt
Registry Number Type Source
7195695 Reaxys Registry Number Reaxys
Last Modified
17 March 2017