Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030250
Common NameMyristelaidic acid
Systematic Name9E-tetradecenoic acid
SynonymsC14:1n-5
Exact Mass
226.1933 (neutral)    Calculate m/z:
FormulaC14H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID6414
PubChem CID5312402
HMDB IDHMDB0062248
PlantFA ID10040
CAYMAN ID22361
InChIKeyYWWVWXASSLXJHU-AATRIKPKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(
H,15,16)/b6-5+
SMILESC(CCCCCCC/C=C/CCCC)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
263.06Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.55Molar
Refractivity
68.62