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16alpha-hydroxydehydroepiandrosterone 3-sulfate(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_87538

A steroid sulfate oxoanion that is the conjugate base of 16alpha-hydroxydehydroepiandrosterone 3-sulfate, arising from deprotonation of the sulfate OH group; major species at pH 7.3.

Term info

Label

16alpha-hydroxydehydroepiandrosterone 3-sulfate(1-)

Synonyms
  • 16alpha-hydroxy-17-oxoandrost-5-en-3beta-yl sulfate
database cross reference
Subsets

3_STAR

IUPAC NAME
16alpha-hydroxy-17-oxoandrost-5-en-3beta-yl sulfate [ IUPAC ]

charge

-1

formula

C19H27O6S

has obo namespace

chebi_ontology

has related synonym

16alpha-hydroxy-DHEA 3-sulfate, 16a-hydroxy DHEA 3-sulfate, (3beta)-16alpha-hydroxy-17-oxoandrost-5-en-3-yl sulfate, 3beta-sulfooxy-16alpha-hydroxy-androst-5-en-17-one, (3beta,16alpha)-16-hydroxy-17-oxoandrost-5-en-3-yl sulfate

id

CHEBI:87538

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

mass

383.481

monoisotopicmass

383.15338

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]