Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020042
Common Name5α-dihydrotesosterone (W)
Systematic Name17β-hydroxy-androstan-3-one
SynonymsStanolone
Exact Mass
290.2246 (neutral)    Calculate m/z:
FormulaC19H30O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0297
PubChem Compound ID (CID)10635
METABOLOMICS ID-
KEGG IDC03917
HMDB IDHMDB02961
YMDB ID-
CHEBI ID16330
InChIKeyNVKAWKQGWWIWPM-ABEVXSGRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(1
4)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
SMILESC[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@]43C)[C@H]1CC[C@H]2O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
302.76Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.25Molar
Refractivity
83.25    
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