CHEBI:91028 - sodium dehydroepiandrosterone sulfate

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ChEBI Name sodium dehydroepiandrosterone sulfate
ChEBI ID CHEBI:91028
Definition An organic sodium salt that is the monosodium salt of dehydroepiandrosterone sulfate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H27NaO5S
Net Charge 0
Average Mass 390.471
Monoisotopic Mass 390.14769
InChI InChI=1S/C19H28O5S.Na/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;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t13-,14-,15-,16-,18-,19-;/m0./s1
InChIKey GFJWACFSUSFUOG-ZJTJBYBXSA-M
SMILES C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H].[Na+]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): 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).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sodium dehydroepiandrosterone sulfate (CHEBI:91028) has part dehydroepiandrosterone sulfate(1−) (CHEBI:57905)
sodium dehydroepiandrosterone sulfate (CHEBI:91028) has role EC 2.7.1.33 (pantothenate kinase) inhibitor (CHEBI:77194)
sodium dehydroepiandrosterone sulfate (CHEBI:91028) has role human metabolite (CHEBI:77746)
sodium dehydroepiandrosterone sulfate (CHEBI:91028) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium 17-oxoandrost-5-en-3β-yl sulfate
Synonyms Sources
Dehydroepiandrosterone sulfate sodium ChemIDplus
Dehydroepiandrosterone sulfate sodium salt ChemIDplus
Dehydroisoandrosterone sulfate sodium sal ChemIDplus
Prasterone sodium sulfate ChemIDplus
sodium 3β-hydroxyandrost-5-en-17-one 3-sulfate ChEBI
Sodium androst-5-en-17-one-3-beta-yl sulfate ChemIDplus
Sodium dehydroepiandrosterone-3-sulfate ChemIDplus
Sodium prasterone sulfate ChemIDplus
Sodium prasterone sulfate anhydrous ChemIDplus
Manual Xref Database
CN1509719 Patent
View more database links
Registry Numbers Types Sources
1099-87-2 CAS Registry Number ChemIDplus
3898987 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1403604 PubMed citation Europe PMC
19848208 PubMed citation Europe PMC
6211259 PubMed citation Europe PMC
6453961 PubMed citation Europe PMC
7664601 PubMed citation Europe PMC
Last Modified
28 January 2016