Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020011
Common NameAnteisoheptadecanoic acid
Systematic Name14-methyl-hexadecanoic acid
Synonyms(+)-14-methyl palmitic acid; Anteisomargaric acid
Exact Mass
270.2559 (neutral)    Calculate m/z:
FormulaC17H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0236
PubChem CID22207
HMDB IDHMDB0031067
PlantFA ID10213
InChIKeyFXUKWLSZZHVEJD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1
-2H3,(H,18,19)
SMILESC(CCCC(C)CC)CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.80Molar
Refractivity
82.49