Structure database (LMSD)

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LM IDLMFA01070013
Common Namemethyl 12,13-epoxy-9,15-octadecadienoate
Systematic Namemethyl 12,13-epoxy-9,15-octadecadienoate
Synonyms-
Exact Mass
308.2351 (neutral)    Calculate m/z:
FormulaC19H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
LIPIDBANK IDDFA8072
PubChem CID5283020
InChIKeyUKZBTRSYQIJJLK-RUVIVGLCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H32O3/c1-3-4-11-14-17-18(22-17)15-12-9-7-5-6-8-10-13-16-19(20)21-2/h
4,9,11-12,17-18H,3,5-8,10,13-16H2,1-2H3/b11-4+,12-9+
SMILESC(/CC1OC1C/C=C/CC)=C\CCCCCCCC(=O)OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
343.35Topological Polar
Surface Area
38.83Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP5.53Molar
Refractivity
91.83