Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01010007
Common NameHeptylic acid (W)
Systematic Nameheptanoic acid
SynonymsEnanthic acid; Enanthylic acid; Heptoic acid; C7:0; Enanthoic acid; Oenanthic
acid
Exact Mass
130.0994 (neutral)    Calculate m/z:
FormulaC7H14O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0007
PubChem CID8094
KEGG IDC05799
HMDB IDHMDB0000666
CHEBI ID45571
PlantFA ID10016
SWISSLIPIDS IDSLM:000389947
InChIKeyMNWFXJYAOYHMED-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
SMILESCCCCCCC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
144.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.04Molar
Refractivity
36.39