Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020024
Common NameIsocerotic acid
Systematic Name24-methyl-pentacosanoic acid
Synonyms-
Exact Mass
396.3967 (neutral)    Calculate m/z:
FormulaC26H52O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0249
PubChem CID5282608
InChIKeyVGANCIUXOAKSHS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H52O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-2
2-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCCCCCC(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
473.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.31Molar
Refractivity
124.05