Structure database (LMSD)

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LM IDLMFA01030275
Common NamePalmitolinoleic acid
Systematic Name9Z,12Z-hexadecadienoic acid
SynonymsC16:2n-4,7
Exact Mass
252.2089 (neutral)    Calculate m/z:
FormulaC16H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID4290
PubChem CID5312427
PlantFA ID10058
SWISSLIPIDS IDSLM:000001200
InChIKeyRVEKLXYYCHAMDF-UTOQUPLUSA-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/h4-5,7-8H,2-3,6,
9-15H2,1H3,(H,17,18)/b5-4-,8-7-
SMILESC(CCCCCCC/C=C\C/C=C\CCC)(=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