CHEBI:87774 - 16α-hydroxydehydroepiandrosterone 3-sulfate

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ChEBI Name 16α-hydroxydehydroepiandrosterone 3-sulfate
ChEBI ID CHEBI:87774
ChEBI ASCII Name 16alpha-hydroxydehydroepiandrosterone 3-sulfate
Definition An androstanoid that is dehydroepiandrosterone 3-sulfate substituted by a hydroxy group at the 16α-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H28O6S
Net Charge 0
Average Mass 384.489
Monoisotopic Mass 384.16066
InChI InChI=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
InChIKey ALBNSVAJDFJRKQ-DNKQKWOHSA-N
SMILES C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS(O)(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(C[C@H](C4=O)O)[H])C)[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(3β)-16α-hydroxy-17-oxoandrost-5-en-3-yl sulfate ChEBI
(3β,16α)-16-hydroxy-17-oxoandrost-5-en-3-yl sulfate ChEBI
16α-hydroxy-DHEA 3-sulfate ChEBI
3β-sulfooxy-16α-hydroxyandrost-5-en-17-one ChEBI
Registry Number Type Source
6004315 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
153014 PubMed citation Europe PMC
17178770 PubMed citation Europe PMC
Last Modified
06 February 2018