Structure database (LMSD)

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LM IDLMFA01030381
Common NameETrE(5Z, 8Z, 11Z)
Systematic Name5Z,8Z,11Z-eicosatrienoic acid
SynonymsMead acid; C20:3n-9,12,15
Exact Mass
306.2559 (neutral)    Calculate m/z:
FormulaC20H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID3507
PubChem CID5312531
HMDB IDHMDB0010378
PlantFA ID10139
SWISSLIPIDS IDSLM:000001063
CAYMAN ID90190
InChIKeyUNSRRHDPHVZAHH-YOILPLPUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-1
0,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-
SMILESC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(=O)O
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
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