Structure database (LMSD)

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LM IDLMFA01030125
Common Name10E,12Z-octadecadienoic acid
Systematic Name10E,12Z-octadecadienoic acid
Synonymstrans-10, cis-12-octadecadienoic acid; C18:2n-6,8
Exact Mass
280.2402 (neutral)    Calculate m/z:
FormulaC18H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0164
PubChem CID5282800
CHEBI ID44526
PlantFA ID10783
CAYMAN ID90145
InChIKeyGKJZMAHZJGSBKD-NMMTYZSQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,
10-17H2,1H3,(H,19,20)/b7-6-,9-8+
SMILESC(=C/C=C\CCCCC)\CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
329.62Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.88Molar
Refractivity
86.99