Structure database (LMSD)

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LM IDLMFA03000004
Common Name17(18)-EpETE
Systematic Name(+/-)-17(18)-epoxy-5Z,8Z,11Z,14Z-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]
PubChem CID16061089
KEGG IDC13843
HMDB IDHMDB0010212
SWISSLIPIDS IDSLM:000389388
InChIKeyGPQVVJQEBXAKBJ-JPURVOHMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)2
2/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,
14-12-
SMILESC(CCC/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CC)(=O)O
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