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dehydroepiandrosterone sulfate(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_57905

The conjugate base of 3beta-hydroxyandrost-5-en-17-one 3-sulfate arising from deprotonation of the sulfate OH group; major species at pH 7.3.

Term info

Label

dehydroepiandrosterone sulfate(1-)

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

3_STAR

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

charge

-1

formula

C19H27O5S

has obo namespace

chebi_ontology

has related synonym

3beta-sulfooxy-androst-5-en-17-one, 3beta-hydroxyandrost-5-en-17-one 3-sulfate(1-), 3beta-hydroxyandrost-5-en-17-one 3-sulfate anion

id

CHEBI:57905

inchi

InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1

inchikey

CZWCKYRVOZZJNM-USOAJAOKSA-M

mass

367.481

monoisotopicmass

367.15847

smiles

C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H]