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CHEBI:87774 - 16α-hydroxydehydroepiandrosterone 3-sulfate

ChEBI IDCHEBI:87774
ChEBI Name16α-hydroxydehydroepiandrosterone 3-sulfate
Stars
ASCII Name16alpha-hydroxydehydroepiandrosterone 3-sulfate
DefinitionAn androstanoid that is dehydroepiandrosterone 3-sulfate substituted by a hydroxy group at the 16α-position.
Last Modified6 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC19H28O6S
Net Charge0
Average Mass384.494
Monoisotopic Mass384.16066
SMILES[H][C@@]12CC=C3C[C@@H](OS(=O)(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@H](O)C[C@@]21[H]
InChIInChI=1S/C19H28O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-16,20H,4-10H2,1-2H3,(H,22,23,24)/t12-,13+,14-,15-,16+,18-,19-/m0/s1
InChIKeyALBNSVAJDFJRKQ-DNKQKWOHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (17178770)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) has functional parent dehydroepiandrosterone (CHEBI:28689)
16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) has role human xenobiotic metabolite (CHEBI:76967)
16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) is a 16α-hydroxy steroid (CHEBI:16799)
16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) is a 17-oxo steroid (CHEBI:19168)
16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) is a androstanoid (CHEBI:50402)
16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) is a secondary α-hydroxy ketone (CHEBI:2468)
16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) is a steroid sulfate (CHEBI:16158)
16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) is conjugate acid of 16α-hydroxydehydroepiandrosterone 3-sulfate(1−) (CHEBI:87538)
Incoming Relation(s)
16α-hydroxydehydroepiandrosterone 3-sulfate(1−) (CHEBI:87538) is conjugate base of 16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774)
IUPAC Name 
16α-hydroxy-17-oxoandrost-5-en-3β-yl hydrogen sulfate
Synonyms  Source
3β-sulfooxy-16α-hydroxyandrost-5-en-17-oneChEBI
(3β)-16α-hydroxy-17-oxoandrost-5-en-3-yl sulfateChEBI
(3β,16α)-16-hydroxy-17-oxoandrost-5-en-3-yl sulfateChEBI
16α-hydroxy-DHEA 3-sulfateChEBI
Registry NumbersSources
Reaxys:6004315Reaxys
Citations