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M  END
> <ID>
CHEBI:34172

> <NAME>
16alpha-hydroxytestosterone

> <DEFINITION>
A C19-steroid that is testosterone in which the hydrogen at the 16α position has been replaced by a hydroxy group.

> <STAR>
3

> <SYNONYM>
16-alpha,17-beta-dihydroxyandrost-4-en-3-one; (16alpha,17beta)-16,17-dihydroxyandrost-4-en-3-one

> <IUPAC_NAME>
16alpha,17beta-dihydroxyandrost-4-en-3-one

> <FORMULA>
C19H28O3

> <MASS>
304.425

> <MONOISOTOPIC_MASS>
304.20384

> <CHARGE>
0

> <SMILES>
C1C(C=C2[C@](C1)([C@@]3([C@@](CC2)([C@@]4([H])[C@@](CC3)(C)[C@H]([C@@H](C4)O)O)[H])[H])C)=O

> <INCHI>
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18+,19+/m1/s1

> <INCHIKEY>
YMCWOAZGWMZGQT-FPNLOETNSA-N

> <CAS_REGISTRY_NUMBER>
63-01-4

> <CHEMIDPLUS>
63-01-4

> <KEGG_COMPOUND_ACCESSION>
C14600

> <PUBMED_CITATION>
1001810; 14478807; 5498128

$$$$