Structure database (LMSD)

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LM IDLMFA02000367
Common Name-
Systematic Name4-oxo-2E,11Z-octadecadienoic acid
Synonyms-
Exact Mass
294.2195 (neutral)    Calculate m/z:
FormulaC18H30O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
AbbrevFA 18:3;O
PubChem CID11289408
InChIKeyBFEZTQZQUDAAIS-LKRDCVSDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h7-8,15-16H,2-6,9-14H2,1H3,(H,20,21)/b8-7-,16-15+
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SMILES
C(/C=C/C(=O)CCCCCC/C=C\CCCCCC)(=O)O
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StatusActive
ReferencesUnusual Bioactive 4-Oxo-2-alkenoic Fatty Acids from Hygrophorus eburneus
Zeitschrift für Naturforschung B 2014
DOI: 10.1515/znb-2005-0105
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
335.77Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.06Molar
Refractivity
87.38