Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020009
Common NameIsopentadecylic acid
Systematic Name13-methyl-tetradecanoic acid
Synonyms13-methylmyristic acid; Isopentadecanoic acid; Subtilopentadecanoic acid
Exact Mass
242.2246 (neutral)    Calculate m/z:
FormulaC15H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0234
PubChem CID151014
HMDB IDHMDB0061707
CHEBI ID39250
PlantFA ID10369
SWISSLIPIDS IDSLM:000000047
InChIKeyZOCYQVNGROEVLU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(
H,16,17)
SMILESC(CCC(C)C)CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
283.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.02Molar
Refractivity
73.26