Structure database (LMSD)

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LM IDLMFA01030760
Common Name5Z,7E,9E,14Z,17Z-eicosapentaenoic acid
Systematic Name5Z,7E,9E,14Z,17Z-eicosapentaenoic acid
Synonyms(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid; C20:5n-3,6,11,13,15
Exact Mass
302.2246 (neutral)    Calculate m/z:
FormulaC20H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 20:5
PubChem CID5282061
KEGG IDC12083
CHEBI ID29457
InChIKeyXGTCGDUVXWLURC-FZNBEQTOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,11-16H,2,5,8-10,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,12-11+,14-13+,16-15-
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SMILES
OC(=O)CCC/C=C\C=C\C=C\CCC/C=C\C/C=C\CC
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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