Structure database (LMSD)

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LM IDLMFA01030352
Common Name9Z,12E,15Z-octadecatrienoic acid
Systematic Name9Z,12E,15Z-octadecatrienoic acid
SynonymsC18:3n-3,6,9
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesOctadecanoids[FA02]
LIPIDAT ID5708
PubChem CID5312503
InChIKeyDTOSIQBPPRVQHS-PCMISOECSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9
-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6+,10-9-
SMILESC(CCCCCCC/C=C\C/C=C/C/C=C\CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
326.98Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.66Molar
Refractivity
86.90