Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020026
Common NameIsomontanic acid
Systematic Name26-methyl-heptacosanoic acid
Synonyms-
Exact Mass
424.4280 (neutral)    Calculate m/z:
FormulaC28H56O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0251
PubChem CID5282610
InChIKeyGCUBDUZUXAQLEY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-2
0-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds25
 van der Waals
Molecular Volume
507.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP10.09Molar
Refractivity
133.28