Structure database (LMSD)

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LM IDLMFA01031259
Common Name-
Systematic NameOctadec-2E-en-4-ynedioic acid
Synonyms-
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 18:3
PubChem CID87379612
InChIKeyGTMFGWXGRXIATH-WUKNDPDISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-13H2,1H3,(H,19,20)/b17-16+
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SMILES
C(/C=C/C#CCCCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20RingsAromatic RingsRotatable Bonds12
 van der Waals
Molecular Volume
326.98Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.33Molar
Refractivity
85.63