CHEBI:133000 - pregnenolone sulfate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 No supplier information found for this compound.
Download Molfile XML SDF
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 pregnane conjugate (CHEBI:167108)
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