Structure database (LMSD)

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LM IDLMFA01030325
Common NameTaxoleic acid
Systematic Name5Z,9Z-octadecadienoic acid
SynonymsC18:2n-9,13
Exact Mass
280.2402 (neutral)    Calculate m/z:
FormulaC18H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesOctadecanoids[FA02]
LIPIDAT ID5539
PubChem CID5312476
PlantFA ID10082
InChIKeyDFJAXEWDHVOILU-KWUOUXIESA-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/h9-10,13-1
4H,2-8,11-12,15-17H2,1H3,(H,19,20)/b10-9-,14-13-
SMILESC(CCC/C=C\CC/C=C\CCCCCCCC)(=O)O
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