Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010000
Common NameProstanoic acid skeleton
Systematic Name-
SynonymsProstanic acid skeleton
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
PubChem CID-
CHEBI ID8504
InChIKeyWGJJROVFWIXTPA-OALUTQOASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h
18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1
SMILES[C@H]1(CCCCCCCC)CCC[C@@H]1CCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
357.14Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.58Molar
Refractivity
94.16