Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080007
Common Name11-methoxy-12,13-epoxy-9-octadecenoic acid
Systematic Name11-methoxy-12,13-epoxy-9-octadecenoic acid
Synonyms-
Exact Mass
326.2457 (neutral)    Calculate m/z:
FormulaC19H34O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
Alternative ClassesUnsaturated fatty acids[FA0103], Epoxy fatty acids[FA0107]
LIPIDBANK IDDFA8015
PubChem CID5283027
InChIKeyWLOMJJRDPWCKSV-ACCUITESSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H34O4/c1-3-4-10-14-17-19(23-17)16(22-2)13-11-8-6-5-7-9-12-15-18(20)2
1/h11,13,16-17,19H,3-10,12,14-15H2,1-2H3,(H,20,21)/b13-11+
SMILESC(/C(OC)C1OC1CCCCC)=C\CCCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
354.78Topological Polar
Surface Area
59.06Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP5.58Molar
Refractivity
94.23