Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020020
Common Name(+)-20-methyl-docosanoic acid
Systematic Name(+)-20-methyl-docosanoic acid
Synonyms-
Exact Mass
354.3498 (neutral)    Calculate m/z:
FormulaC23H46O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0245
PubChem CID5282604
InChIKeyMZRXKFZYUOFQRH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H46O2/c1-3-22(2)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23(2
4)25/h22H,3-21H2,1-2H3,(H,24,25)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCC(C)CC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
421.40Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP8.14Molar
Refractivity
110.20