Structure database (LMSD)

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LM IDLMFA01030694
Common Name5Z,11Z,14Z-Eicosatrien-8-ynoic acid
Systematic Name5Z,11Z,14Z-Eicosatrien-8-ynoic acid
SynonymsAcetylenic acids
Exact Mass
302.2246 (neutral)    Calculate m/z:
FormulaC20H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID3517
PubChem CID9543606
PlantFA ID10140
InChIKeyYETMSTXPNJOICF-URZBRJKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7
,9-10,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,16-15-
SMILESC(CCC/C=C\CC#CC/C=C\C/C=C\CCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
356.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.66Molar
Refractivity
94.68