Structure database (LMSD)

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LM IDLMFA01030273
Common Name6Z,9Z-hexadecadienoic acid
Systematic Name6Z,9Z-hexadecadienoic acid
SynonymsC16:2n-7,10
Exact Mass
252.2089 (neutral)    Calculate m/z:
FormulaC16H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID4287
PubChem CID5312425
PlantFA ID10401
InChIKeyJZJWNDAFHKZSNQ-NQLNTKRDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,10-11H,2-6,
9,12-15H2,1H3,(H,17,18)/b8-7-,11-10-
SMILESC(CCCC/C=C\C/C=C\CCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
295.02Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.10Molar
Refractivity
77.76