Structure database (LMSD)

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LM IDLMFA01030405
Common Name13Z,16Z-docosadienoic acid
Systematic Name13Z,16Z-docosadienoic acid
SynonymsC22:2n-6,9
Exact Mass
336.3028 (neutral)    Calculate m/z:
FormulaC22H40O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID7621
PubChem CID5312554
KEGG IDC16533
HMDB IDHMDB0062219
PlantFA ID10156
SWISSLIPIDS IDSLM:000001120
CAYMAN ID20749
InChIKeyHVGRZDASOHMCSK-HZJYTTRNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)2
4/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-
SMILESC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
398.82Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.44Molar
Refractivity
105.46