Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030264
Common Name13Z-hexadecenoic acid
Systematic Name13Z-hexadecenoic acid
SynonymsC16:1n-3
Exact Mass
254.2246 (neutral)    Calculate m/z:
FormulaC16H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID4384
PubChem CID5312416
HMDB IDHMDB0035877
InChIKeyUFRASUJYZLLIJC-ARJAWSKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,5-15H2,1
H3,(H,17,18)/b4-3-
SMILESC(CCCCCCCCCCC/C=C\CC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
297.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.33Molar
Refractivity
77.85