Structure database (LMSD)

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LM IDLMFA07010015
Common NameMayolene-16
Systematic Name11R-hexadecanoyloxyoctadeca-9Z,12Z,15Z-trienoic acid
Synonyms-
Exact Mass
532.4492 (neutral)    Calculate m/z:
FormulaC34H60O4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem Compound ID (CID)11203400
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyXHGMWSVXYAFIMA-IPBGHUMISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H60O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-27-31-34(37)38-32(28-24-20-
8-6-4-2)29-25-21-17-16-18-22-26-30-33(35)36/h6,8,24-25,28-29,32H,3-5,7,9-23,26-2
7,30-31H2,1-2H3,(H,35,36)/b8-6-,28-24-,29-25-/t32-/m0/s1
SMILESCC/C=C\C/C=C\[C@@H](/C=C\CCCCCCCC(O)=O)OC(=O)CCCCCCCCCCCCCCC
StatusActive
ReferencesSynthesis of Mayolene-16 and Mayolene-18:
Larval Defensive Lipids from the European Cabbage Butterfly
D. B. Weibel et al.
J. Org. Chem., 2002, 67 (17), pp 5896-5900
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
618.72Topological Polar
Surface Area
63.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP10.95Molar
Refractivity
162.99    
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