Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08010003
Common NameStearamide
Systematic NameOctadecanamide
Synonyms-
Exact Mass
283.2875 (neutral)    Calculate m/z:
FormulaC18H37NO
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
PubChem CID31292
KEGG IDC13846
HMDB IDHMDB0034146
CAYMAN ID21087
InChIKeyLYRFLYHAGKPMFH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H
3,(H2,19,20)
SMILESNC(=O)CCCCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
337.11Topological Polar
Surface Area
43.09Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.73Molar
Refractivity
88.74