Structure database (LMSD)

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LM IDLMFA01030146
Common NamePunicic acid (W)
Systematic Name9Z,11E,13Z-octadecatrienoic acid
SynonymsTrichosanic acid; cis-9, trans-11, cis-13-octadecatrienoic acid; C18:3n-5,7,9;
Trichosanoic acid; Punicinic acid
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesOctadecanoids[FA02]
AbbrevFA 18:3
LIPIDBANK IDDFA0185
PubChem CID5281126
KEGG IDC08364
CHEBI ID8638
PlantFA ID10110
CAYMAN ID26057
InChIKeyCUXYLFPMQMFGPL-BGDVVUGTSA-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/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9-
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SMILES
C(CCCCCCC(=O)O)/C=C\C=C\C=C/CCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
326.98Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.66Molar
Refractivity
86.90