EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57905 - dehydroepiandrosterone sulfate(1−)

ChEBI IDCHEBI:57905
ChEBI Namedehydroepiandrosterone sulfate(1−)
Stars
ASCII Namedehydroepiandrosterone sulfate(1-)
DefinitionThe conjugate base of 3β-hydroxyandrost-5-en-17-one 3-sulfate arising from deprotonation of the sulfate OH group; major species at pH 7.3.
Last Modified29 March 2022
DownloadsMolfile
FormulaC19H27O5S
Net Charge-1
Average Mass367.487
Monoisotopic Mass367.15847
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)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKeyCZWCKYRVOZZJNM-USOAJAOKSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
dehydroepiandrosterone sulfate(1−) (CHEBI:57905) has role human metabolite (CHEBI:77746)
dehydroepiandrosterone sulfate(1−) (CHEBI:57905) is a steroid sulfate oxoanion (CHEBI:59696)
dehydroepiandrosterone sulfate(1−) (CHEBI:57905) is conjugate base of dehydroepiandrosterone sulfate (CHEBI:16814)
Incoming Relation(s)
sodium dehydroepiandrosterone sulfate (CHEBI:91028) has part dehydroepiandrosterone sulfate(1−) (CHEBI:57905)
dehydroepiandrosterone sulfate (CHEBI:16814) is conjugate acid of dehydroepiandrosterone sulfate(1−) (CHEBI:57905)
IUPAC Name 
17-oxoandrost-5-en-3β-yl sulfate
Synonyms  Source
3β-hydroxyandrost-5-en-17-one 3-sulfate anionChEBI
3β-hydroxyandrost-5-en-17-one 3-sulfate(1−)ChEBI
UniProt Name  Source
dehydroepiandrosterone 3-sulfateUniProt
Registry NumbersSources
Beilstein:3916013Beilstein