Structure database (LMSD)

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LM IDLMFA01030807
Common Name7Z,10Z-hexadecadienoic acid
Systematic Name7Z,10Z-hexadecadienoic acid
SynonymsC16:2n-6,9
Exact Mass
252.2089 (neutral)    Calculate m/z:
FormulaC16H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID13932172
HMDB IDHMDB0000477
PlantFA ID10057
InChIKeyWPJGPAAPSBVXNU-HZJYTTRNSA-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/h6-7,9-10H,2-5,8
,11-15H2,1H3,(H,17,18)/b7-6-,10-9-
SMILESC(=O)(O)CCCCC/C=C\C/C=C\CCCCC
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