Structure database (LMSD)

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LM IDLMFA04000061
Common Name22:2(7Z,13Z)
Systematic Name7Z,13Z-docosadienoic acid
SynonymsC22:2n-9,15
Exact Mass
336.3028 (neutral)    Calculate m/z:
FormulaC22H40O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 22:2
PubChem CID52922001
InChIKeyHHSQSZLEUFWPRH-GJWNNSPJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,15-16H,2-8,11-14,17-21H2,1H3,(H,23,24)/b10-9-,16-15-
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SMILES
C(CCCCC/C=C\CCCC/C=C\CCCCCCCC)(=O)O
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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 Bonds18
 van der Waals
Molecular Volume
398.82Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.44Molar
Refractivity
105.46