Structure database (LMSD)

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LM IDLMFA03080001
Common Name14R,15S-EpETrE
Systematic Name14R,15S-epoxy-5Z,8Z,11Z-eicosatrienoic acid
Synonyms14,15-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 CID5283201
KEGG IDC14771
HMDB IDHMDB0002283
SWISSLIPIDS IDSLM:000501487
InChIKeyJBSCUHKPLGKXKH-LLZJRKGESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)2
2/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t1
8-,19+/m0/s1
SMILESC(O)(=O)CCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCCCC
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