Structure database (LMSD)

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LM IDLMFA01070014
Common Namemethyl 15,16-epoxy-9,12-octadecadienoate
Systematic Namemethyl 15,16-epoxy-9,12-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]
AbbrevFA 19:3;O
LIPIDBANK IDDFA8073
PubChem CID5283021
InChIKeyWXOURJJDULGFAF-KNVWVLGRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O3/c1-3-17-18(22-17)15-13-11-9-7-5-4-6-8-10-12-14-16-19(20)21-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5+,13-11+
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SMILES
C(/C/C=C/CC1OC1CC)=C\CCCCCCCC(=O)OC
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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