Structure database (LMSD)

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LM IDLMFA01030262
Common Namecis-Palmitvaccenic acid
Systematic Name11Z-hexadecenoic acid
SynonymsC16:1n-5; Tanacetumoleic acid
Exact Mass
254.2246 (neutral)    Calculate m/z:
FormulaC16H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID4382
PubChem CID5312414
CHEBI ID35464
PlantFA ID10053
InChIKeyJGMYDQCXGIMHLL-WAYWQWQTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2
,1H3,(H,17,18)/b6-5-
SMILESC(CCCCCCCCC/C=C\CCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
297.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.33Molar
Refractivity
77.85