Structure database (LMSD)

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LM IDLMFA02000030
Common Name15,16-EpODE
Systematic Name15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid
Synonyms-
Exact Mass
310.2144 (neutral)    Calculate m/z:
FormulaC18H30O4
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Epoxy fatty acids[FA0107]
PubChem CID16061056
InChIKeyOAFZOWOHMXJGNM-DEOFSOSHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O4/c1-2-16-17(22-16)14-15(19)12-10-8-6-4-3-5-7-9-11-13-18(20)21/h
6,8,10,12,15-17,19H,2-5,7,9,11,13-14H2,1H3,(H,20,21)/b8-6-,12-10+
SMILESC(CCCCCCC/C=C\C=C\C(O)CC1OC1CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
334.84Topological Polar
Surface Area
70.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.70Molar
Refractivity
89.35