Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030057
Common Nametrans-9-palmitoleic acid (W)
Systematic Name9E-hexadecenoic acid
Synonymstrans-9-hexadecenoic acid; C16:1n-7; palmitelaidic acid
Exact Mass
254.2246 (neutral)    Calculate m/z:
FormulaC16H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0096
PubChem CID5282745
KEGG IDC08362
HMDB IDHMDB0012328
CHEBI ID59265
PlantFA ID10052
CAYMAN ID9001798
InChIKeySECPZKHBENQXJG-BQYQJAHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
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SMILES
C(/CCCCCC)=C\CCCCCCCC(=O)O
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MS SpectraView MoNA 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