Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080002
Common Name8-methoxy-13-hydroxy-9,11-octadecadienoic acid
Systematic Name8-methoxy-13-hydroxy-9,11-octadecadienoic 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]
LIPIDBANK IDDFA8033
PubChem CID5283022
InChIKeyFPDXRJMUHIDIMS-FVIOEUFFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H34O4/c1-3-4-7-12-17(20)13-10-11-15-18(23-2)14-8-5-6-9-16-19(21)22/h
10-11,13,15,17-18,20H,3-9,12,14,16H2,1-2H3,(H,21,22)/b13-10+,15-11+
SMILESC(/C=C/C(O)CCCCC)=C\C(OC)CCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
364.50Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP5.05Molar
Refractivity
95.59