Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020007
Common NameAndrostenedione (W)
Systematic Nameandrost-4-ene-3,17-dione
Synonyms-
Exact Mass
286.1933 (neutral)    Calculate m/z:
FormulaC19H26O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0028
PubChem Compound ID (CID)6128
METABOLOMICS ID-
KEGG IDC00280
HMDB IDHMDB00053
YMDB ID-
CHEBI ID16422
InChIKeyAEMFNILZOJDQLW-QAGGRKNESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
SMILESC[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC2=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
297.48Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.09Molar
Refractivity
81.72    
logo LIPID MAPS is funded by a Wellcome Trust.