Structure database (LMSD)

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LM IDLMFA04000062
Common Name22:3(7Z,13Z,16Z)
Systematic Name7Z,13Z,16Z-docosatrienoic acid
SynonymsC22:3n-6,9,15
Exact Mass
334.2872 (neutral)    Calculate m/z:
FormulaC22H38O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID52922002
InChIKeyGUHKSOUIJGCNGR-URZBRJKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H38O2/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/h6-7,9-10,15-16H,2-5,8,11-14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,16-15-
SMILESC(CCCCC/C=C\CCCC/C=C\C/C=C\CCCCC)(=O)O
StatusActive
ReferencesCharacteristics of the Fatty Acid Composition
of a Deep-Sea Vent Gastropod, Ifremeria nautilei
Hiroaki Saito, Jun Hashimot
Lipids (2010) 45:537-54
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
396.18Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.22Molar
Refractivity
105.37