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

ChEBI IDCHEBI:87538
ChEBI Name16α-hydroxydehydroepiandrosterone 3-sulfate(1−)
Stars
ASCII Name16alpha-hydroxydehydroepiandrosterone 3-sulfate(1-)
DefinitionA 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.
Last Modified30 March 2022
Submitternhn
DownloadsMolfile
FormulaC19H27O6S
Net Charge-1
Average Mass383.486
Monoisotopic Mass383.15338
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)/p-1/t12-,13+,14-,15-,16+,18-,19-/m0/s1
InChIKeyALBNSVAJDFJRKQ-DNKQKWOHSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
(3β,16α)-16-hydroxy-17-oxoandrost-5-en-3-yl sulfateIUPAC
(3β)-16α-hydroxy-17-oxoandrost-5-en-3-yl sulfateChEBI
16α-hydroxy-DHEA 3-sulfateChEBI
16a-hydroxy DHEA 3-sulfateChEBI
UniProt Name  Source
16α-hydroxydehydroepiandrosterone 3-sulfateUniProt
Citations