Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030378
Common NameBishomo-α-linolenic acid
Systematic Name11Z,14Z,17Z-eicosatrienoic acid
SynonymsC20:3n-3,6,9; ETrE(11Z, 14Z, 17Z); Dihomolinolenic acid
Exact Mass
306.2559 (neutral)    Calculate m/z:
FormulaC20H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 20:3
LIPIDAT ID1772
PubChem CID5312529
KEGG IDC16522
HMDB IDHMDB0060039
CHEBI ID53460
PlantFA ID10143
SWISSLIPIDS IDSLM:000001108
CAYMAN ID90192
InChIKeyAHANXAKGNAKFSK-PDBXOOCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
Click to highlight InChI
SMILES
C(CCCCCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume		361.58Topological Polar
Surface Area		37.30Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		2
 logP6.44Molar
Refractivity		96.13