Structure database (LMSD)

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LM IDLMFA04000066
Common Name22:4(4Z,7Z,10Z,13E)
Systematic Name4Z,7Z,10Z,13E-docosatetraenoic acid
Synonyms-
Exact Mass
332.2715 (neutral)    Calculate m/z:
FormulaC22H36O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID21775584
InChIKeyWSCPRLMTEVITJR-DEYSSILGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)2
4/h9-10,12-13,15-16,18-19H,2-8,11,14,17,20-21H2,1H3,(H,23,24)/b10-9+,13-12-,16-1
5-,19-18-
SMILESC(CC/C=C\C/C=C\C/C=C\C/C=C/CCCCCCCC)(=O)O
StatusActive
ReferencesOccurrence of the cis-4,7,10, trans-13-22:4 Fatty Acid
in the Family Pectinidae (Mollusca: Bivalvia)
Edouard Kraffe, Jacques Grall, Elena Palacios, Citlali Guerra and Philippe Soudant, et al.
Lipids (2010) 45:437-44
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