Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020205
Common Name15-methyl-heptadecanoic acid
Systematic Name15-methyl-heptadecanoic acid
Synonyms-
Exact Mass
284.2715 (neutral)    Calculate m/z:
FormulaC18H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDAT ID1689
PubChem CID4169198
InChIKeyMAFSBQRWNXDTRK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H36O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20/h17H,3-16H
2,1-2H3,(H,19,20)
SMILESC(CCCCCCCCCCCCCC(C)CC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
334.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.19Molar
Refractivity
87.11