Structure database (LMSD)

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LM IDLMFA02000370
Common Name-
Systematic Name4-oxo-2E-octadecenoic acid
Synonyms-
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
AbbrevFA 18:2;O
PubChem CID11150638
InChIKeyDOCHQQOWHPNKAZ-FOCLMDBBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h15-16H,2-14H2,1H3,(H,20,21)/b16-15+
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SMILES
C(/C=C/C(=O)CCCCCCCCCCCCCC)(=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 Bonds15
 van der Waals
Molecular Volume
338.41Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.29Molar
Refractivity
87.48