Structure database (LMSD)

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LM IDLMFA03000001
Common Name8(9)-EpETE
Systematic Name(+/-)-8(9)-epoxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid
Synonyms-
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassOther Eicosanoids [FA0300]
Alternative ClassesUnsaturated fatty acids[FA0103], Epoxy fatty acids[FA0107]
AbbrevFA 20:5;O
PubChem CID16061086
CHEBI ID137193
InChIKeyYKIOHMXLFWMWKD-JJUYGIQRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b4-3-,7-6-,12-9-,13-10-
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SMILES
C(CCC/C=C\CC1OC1C/C=C\C/C=C\C/C=C\CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
355.37Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.78Molar
Refractivity
96.49