Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020017
Common NameIsoarachidic acid
Systematic Name18-methyl-nonadecanoic acid
Synonyms-
Exact Mass
312.3028 (neutral)    Calculate m/z:
FormulaC20H40O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0242
PubChem CID4383090
PlantFA ID10730
InChIKeyUCDAVJCKGYOYNI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h19H
,3-18H2,1-2H3,(H,21,22)
SMILESC(CCCCCCCC(C)C)CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
369.50Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.97Molar
Refractivity
96.35