Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020015
Common NameTuberculostearic acid (W)
Systematic Name10R-methyl-octadecanoic acid
Synonyms10-methylstearic acid; L-(+)-Tuberculostearic acid
Exact Mass
298.2872 (neutral)    Calculate m/z:
FormulaC19H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0240
PubChem CID9601092
InChIKeyBEOUGZFCUMNGOU-GOSISDBHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-
17H2,1-2H3,(H,20,21)/t18-/m1/s1
SMILES[C@@H](C)(CCCCCCCC)CCCCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
352.20Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.58Molar
Refractivity
91.73