CHEBI:35420 - pregnenolone sulfate

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ChEBI Name pregnenolone sulfate
ChEBI ID CHEBI:35420
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H32O5S
Net Charge 0
Average Mass 396.543
Monoisotopic Mass 396.197
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)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey DIJBBUIOWGGQOP-QGVNFLHTSA-N
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
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
EC 2.7.1.33 (pantothenate kinase) inhibitor
An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of pantothenate kinase (EC 2.7.1.33).
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ChEBI Ontology
Outgoing pregnenolone sulfate (CHEBI:35420) has functional parent pregnenolone (CHEBI:16581)
pregnenolone sulfate (CHEBI:35420) has role EC 2.7.1.33 (pantothenate kinase) inhibitor (CHEBI:77194)
pregnenolone sulfate (CHEBI:35420) has role human metabolite (CHEBI:77746)
pregnenolone sulfate (CHEBI:35420) is a steroid sulfate (CHEBI:16158)
pregnenolone sulfate (CHEBI:35420) is conjugate acid of pregnenolone sulfate(1−) (CHEBI:133000)
Incoming pregnenolone sulfate(1−) (CHEBI:133000) is conjugate base of pregnenolone sulfate (CHEBI:35420)
IUPAC Name
20-oxopregn-5-en-3β-yl hydrogen sulfate
Synonyms Sources
(3β)-3-(sulfooxy)pregn-5-en-20-one ChemIDplus
5-pregnen-3β-ol-20-one sulfate ChemIDplus
Pregnenolone sulfate KEGG COMPOUND
pregnenolone sulfate ChemIDplus
Database Link Database
C18044 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1247-64-9 CAS Registry Number ChemIDplus
2632294 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
20797618 PubMed citation Europe PMC
Last Modified
12 August 2016