Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020028
Common Name(+)-28-methyl-triacontanoic acid
Systematic Name(+)-28-methyl-triacontanoic acid
Synonyms-
Exact Mass
466.4750 (neutral)    Calculate m/z:
FormulaC31H62O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0253
PubChem CID5282612
InChIKeyOISCYPVRYCYZHI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H62O2/c1-3-30(2)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-1
7-19-21-23-25-27-29-31(32)33/h30H,3-29H2,1-2H3,(H,32,33)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCC(C)CC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
559.80Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP11.26Molar
Refractivity
147.13