Structure database (LMSD)

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LM IDLMFA01030403
Common Name19Z-docosenoic acid
Systematic Name19Z-docosenoic acid
SynonymsC22:1n-3
Exact Mass
338.3185 (neutral)    Calculate m/z:
FormulaC22H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 22:1
LIPIDAT ID3247
PubChem CID5312552
InChIKeyZGJQAPUAARZOCF-ARJAWSKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4H,2,5-21H2,1H3,(H,23,24)/b4-3-
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SMILES
C(CCCCCCCCCCCCCCCCC/C=C\CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
401.46Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.67Molar
Refractivity
105.56