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M  END
> <ID>
CHEBI:16814

> <NAME>
dehydroepiandrosterone sulfate

> <DEFINITION>
A steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20247; CHEBI:61003; CHEBI:11912; CHEBI:1724

> <SYNONYM>
Prasterone sulfate; DHEAS; DHEA-S; DHEA sulfate; DHEA sulfate; Dehydroisoandrosterone-3-sulfate; Dehydroisoandrosterone sulfate; Dehydroepiandrosterone sulphate; Dehydroepiandrosterone sulfate; Dehydroepiandrosterone monosulfate; Dehydroepiandrosterone 3-sulfate; Androst-5-en-17-on-3beta-yl sulfuric acid; 3beta-Hydroxyandrost-5-en-17-one 3-sulfate; 3beta-hydroxyandrost-5-en-17-one 3-sulfate; 3beta-Hydroxyandrost-5-en-17-one 3-sulfate; 3-O-Sulfodehydroepiandrosterone; 17-oxoandrost-5-en-3beta-yl hydrogen sulphate; 17-Ketoandrost-5-en-3beta-yl sulfate; (3-beta)-3-(Sulfooxy)androst-5-en-17-one

> <IUPAC_NAME>
17-oxoandrost-5-en-3beta-yl hydrogen sulfate

> <FORMULA>
C19H28O5S; C19H28O5S

> <MASS>
368.489

> <MONOISOTOPIC_MASS>
368.16575

> <CHARGE>
0

> <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]

> <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)/t13-,14-,15-,16-,18-,19-/m0/s1

> <INCHIKEY>
CZWCKYRVOZZJNM-USOAJAOKSA-N

> <CAS_REGISTRY_NUMBER>
651-48-9

> <REAXYS_REGISTRY_NUMBER>
2227078

> <CHEMIDPLUS>
651-48-9

> <KEGG_COMPOUND_ACCESSION>
C04555

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST05020010

> <METACYC_ACCESSION>
DEHYDRO-EPIANDROSTERONE-SULFATE

> <WIKIPEDIA_ACCESSION>
Dehydroepiandrosterone_sulfate

> <PUBMED_CITATION>
15374110; 20797618; 22770225; 9661815; 18307294

$$$$