LBF18203EO02

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8072
LipidMaps	LMFA01070013
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18203EO02

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	Methyl-12,13-Epoxy-9,15-Octadecadienoate
Common Name
Symbol
Formula	C19H32O3
Exact Mass	308.23514489
Average Mass	308.45558
SMILES	C(C(CC=CCCCCCCCC(=O)OC)1)(CC=CCC)O1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS Neff_WE et al.: m/e=308[M]; 277[M-OCH3]; 211[CH-(O)-CHCH2CH=CH(CH2)7COOCH3-28] 83[M-CH2CH=CH(CH2)7COOCH3-28], GC-EI-MS(after hydrogenation)(105): m/e=281[M-OCH3]; 241[CH-(O)-CH(CH2)10CO OCH3]; 213[214-28]; 113[M-(CH2)10COOCH3]; 85[113-28]
UV Spectra
IR Spectra	Cis unsaturation: 3002cm-1 Neff_WE et al.
NMR Spectra	1H-NMR Neff_WE et al.: cis unsaturationS: 5.43ppm[4H]; cis epoxide ring:2.79 AND 2.98ppm[2H]
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18203EO02 See above. Neff_WE et al. 1981 n.a. LBF18203EO02 See above. Neff_WE et al. 1982