Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030152
Common Nameα-Linolenic acid (W)
Systematic Name9Z,12Z,15Z-octadecatrienoic acid
Synonymscis-9, cis-12, cis-15-octadecatrienoic acid; C18:3n-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]
AbbrevFA 18:3
LIPIDBANK IDDFA0191
PubChem CID5280934
KEGG IDC06427
HMDB IDHMDB0001388
CHEBI ID27432
PlantFA ID10114
SWISSLIPIDS IDSLM:000001101
CAYMAN ID90210
InChIKeyDTOSIQBPPRVQHS-PDBXOOCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=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-
Click to highlight InChI
SMILES
C(CCCCCCC(=O)O)/C=C\C/C=C\C/C=C\CC
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
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