Structure database (LMSD)

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LM IDLMFA01070012
Common Namemethyl 9,10-epoxy-12,15-octadecadienoate
Systematic Namemethyl 9,10-epoxy-12,15-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 IDDFA8071
PubChem CID5283019
InChIKeyWJRQEOOGBUSIOJ-OCJIRGAFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,17-18H,3,6-7,9-10,12-16H2,1-2H3/b5-4+,11-8+
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SMILES
C1(OC1CCCCCCCC(=O)OC)C/C=C/C/C=C/CC
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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