Structure database (LMSD)

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LM IDLMFA03080014
Common Name11S,12R-EpETrE
Systematic Name11S,12R-epoxy-5Z,8Z,14Z-eicosatrienoic acid
Synonyms11S,12R-EET
Exact Mass
320.2351 (neutral)    Calculate m/z:
FormulaC20H32O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassEpoxyeicosatrienoic acids [FA0308]
Alternative ClassesUnsaturated fatty acids[FA0103], Epoxy fatty acids[FA0107]
PubChem CID40490664
SWISSLIPIDS IDSLM:000501488
CAYMAN ID10007262
InChIKeyDXOYQVHGIODESM-LZXKBWHHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)2
2/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-/t18-,19
+/m1/s1
SMILESC(/C=C\C/C=C\CCCC(=O)O)[C@@H]1O[C@@H]1C/C=C\CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
358.01Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.00Molar
Refractivity
96.58