CHEBI:87538 - 16α-hydroxydehydroepiandrosterone 3-sulfate(1−)

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ChEBI Name 16α-hydroxydehydroepiandrosterone 3-sulfate(1−)
ChEBI ID CHEBI:87538
ChEBI ASCII Name 16alpha-hydroxydehydroepiandrosterone 3-sulfate(1-)
Definition A steroid sulfate oxoanion that is the conjugate base of 16α-hydroxydehydroepiandrosterone 3-sulfate, arising from deprotonation of the sulfate OH group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C19H27O6S
Net Charge -1
Average Mass 383.481
Monoisotopic Mass 383.15338
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)/p-1/t12-,13+,14-,15-,16+,18-,19-/m0/s1
InChIKey ALBNSVAJDFJRKQ-DNKQKWOHSA-M
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]
ChEBI Ontology
Outgoing 16α-hydroxydehydroepiandrosterone 3-sulfate(1−) (CHEBI:87538) is a androstane conjugate (CHEBI:167106)
16α-hydroxydehydroepiandrosterone 3-sulfate(1−) (CHEBI:87538) is a steroid sulfate oxoanion (CHEBI:59696)
16α-hydroxydehydroepiandrosterone 3-sulfate(1−) (CHEBI:87538) is conjugate base of 16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774)
Incoming 16α-hydroxydehydroepiandrosterone 3-sulfate (CHEBI:87774) is conjugate acid of 16α-hydroxydehydroepiandrosterone 3-sulfate(1−) (CHEBI:87538)
IUPAC Name
16α-hydroxy-17-oxoandrost-5-en-3β-yl 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 IUPAC
16a-hydroxy DHEA 3-sulfate ChEBI
16α-hydroxy-DHEA 3-sulfate ChEBI
3β-sulfooxy-16α-hydroxy-androst-5-en-17-one UniProt
Citation Waiting for Citations Type Source
17178770 PubMed citation SUBMITTER
Last Modified
14 June 2018