Structure database (LMSD)

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LM IDLMFA04000087
Common Name5Z,13Z,16Z,19Z-Docosatetraenoic acid
Systematic Name5Z,13Z,16Z,19Z-Docosatetraenoic acid
SynonymsZ,Z,Z,Z-5,13,16,19-Docosatetraenoic acid; Z,Z,Z,Z-5,13,16,19-Docosatetraenoic
acid; Docosa-5c,13c,16c,19c-tetraenoic acid; 5c,13c,16c,19c-Docosatetraenoic
acid
Exact Mass
332.2715 (neutral)    Calculate m/z:
FormulaC22H36O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 22:4
PubChem CID131840333
CHEBI ID186667
PlantFA ID10162
InChIKeyGESHZLPHPMXQLQ-UBUOEUCZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,17-18H,2,5,8,11-16,19-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,18-17-
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SMILES
C(CCC/C=C\CCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
393.54Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.00Molar
Refractivity
105.27