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M  END
> <ID>
CHEBI:83037

> <NAME>
androsterone sulfate

> <DEFINITION>
A steroid sulfate that is the 3-sulfate of androsterone.

> <STAR>
3

> <SYNONYM>
5alpha-androstane-3alpha-ol-17-one sulfate; 3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate

> <IUPAC_NAME>
(5alpha)-17-oxoandrostan-3alpha-yl hydrogen sulfate

> <FORMULA>
C19H30O5S

> <MASS>
370.505

> <MONOISOTOPIC_MASS>
370.18140

> <CHARGE>
0

> <SMILES>
C1[C@@]2([C@@]([C@@]3([C@](C[C@H](OS(O)(=O)=O)CC3)(C1)[H])C)(CC[C@@]4(C(CC[C@@]24[H])=O)C)[H])[H]

> <INCHI>
InChI=1S/C19H30O5S/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/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1

> <INCHIKEY>
ZMITXKRGXGRMKS-HLUDHZFRSA-N

> <CAS_REGISTRY_NUMBER>
2479-86-9

> <REAXYS_REGISTRY_NUMBER>
2225704

> <CHEMIDPLUS>
2479-86-9

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST05020001

> <PUBMED_CITATION>
1254687; 13916108; 23320515; 24121067; 743633; 8380602; 8987136

$$$$