Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020007
Common NameIsomyristic acid
Systematic Name12-methyl-tridecanoic acid
Synonyms12-methyltridecylic acid
Exact Mass
228.2089 (neutral)    Calculate m/z:
FormulaC14H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0232
PubChem CID520298
HMDB IDHMDB0031072
CHEBI ID43722
PlantFA ID10203
InChIKeyYYVJAABUJYRQJO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,1
5,16)
SMILESC(CC(C)C)CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
265.70Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.63Molar
Refractivity
68.64