Structure database (LMSD)

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LM IDLMFA01030394
Common NameJuniperonic acid
Systematic Name5Z,11Z,14Z,17Z-eicosatetraenoic acid
SynonymsC20:4n-3,6,9,15
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID3495
PubChem CID5312543
PlantFA ID10145
InChIKeyJDKIKEYFSJUYJZ-OUJQXAOTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-
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SMILES
C(CCC/C=C\CCCC/C=C\C/C=C\C/C=C\CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
358.94Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.22Molar
Refractivity
96.04