Structure database (LMSD)

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LM IDLMFA01030759
Common NameEPA (W)
Systematic Name5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid
Synonyms(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid; Timnodonic acid; C20:5n-3,6,9,12,15
Exact Mass
302.2246 (neutral)    Calculate m/z:
FormulaC20H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID446284
KEGG IDC06428
HMDB IDHMDB0001999
CHEBI ID28364
PlantFA ID10412
SWISSLIPIDS IDSLM:000000409
CAYMAN ID17949
InChIKeyJAZBEHYOTPTENJ-JLNKQSITSA-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/h3-4
,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-
,16-15-
SMILESOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
356.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.99Molar
Refractivity
95.95