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CHEBI:16814 - dehydroepiandrosterone sulfate

ChEBI IDCHEBI:16814
ChEBI Namedehydroepiandrosterone sulfate
Stars
DefinitionA steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone.
Secondary ChEBI IDsCHEBI:1724, CHEBI:11912, CHEBI:20247, CHEBI:61003
Last Modified20 August 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H28O5S
Net Charge0
Average Mass368.495
Monoisotopic Mass368.16574
SMILES[H][C@@]12CC=C3C[C@@H](OS(=O)(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C19H28O5S/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)/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKeyCZWCKYRVOZZJNM-USOAJAOKSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (15374110)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
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).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
dehydroepiandrosterone sulfate (CHEBI:16814) has functional parent dehydroepiandrosterone (CHEBI:28689)
dehydroepiandrosterone sulfate (CHEBI:16814) has role EC 2.7.1.33 (pantothenate kinase) inhibitor (CHEBI:77194)
dehydroepiandrosterone sulfate (CHEBI:16814) has role human metabolite (CHEBI:77746)
dehydroepiandrosterone sulfate (CHEBI:16814) has role mouse metabolite (CHEBI:75771)
dehydroepiandrosterone sulfate (CHEBI:16814) is a 17-oxo steroid (CHEBI:19168)
dehydroepiandrosterone sulfate (CHEBI:16814) is a steroid sulfate (CHEBI:16158)
dehydroepiandrosterone sulfate (CHEBI:16814) is conjugate acid of dehydroepiandrosterone sulfate(1−) (CHEBI:57905)
Incoming Relation(s)
dehydroepiandrosterone sulfate(1−) (CHEBI:57905) is conjugate base of dehydroepiandrosterone sulfate (CHEBI:16814)
IUPAC Name 
17-oxoandrost-5-en-3β-yl hydrogen sulfate
Synonyms  Source
3beta-Hydroxyandrost-5-en-17-one 3-sulfateKEGG COMPOUND
Dehydroepiandrosterone sulfateKEGG COMPOUND
3beta-hydroxyandrost-5-en-17-one 3-sulfateChEBI
DHEA sulfateChemIDplus
DHEA-SChEBI
3-O-SulfodehydroepiandrosteroneChemIDplus
Manual XrefsDatabases
C04555KEGG COMPOUND
C04555KEGG COMPOUND
LMST05020010LIPID MAPS
HMDB0001032HMDB
Dehydroepiandrosterone_sulfateWikipedia
DEHYDRO-EPIANDROSTERONE-SULFATEMetaCyc
4049DrugCentral
Registry NumbersSources
Reaxys:2227078Reaxys
CAS:651-48-9ChemIDplus
CAS:651-48-9KEGG COMPOUND
Citations