LBF18107EO02

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8016
LipidMaps	LMFA01070005
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18107EO02

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	9,10-Epoxy-13-Oxo-11-Octadecenoic Acid
Common Name
Symbol
Formula	C18H30O4
Exact Mass	310.21440944799997
Average Mass	310.4284
SMILES	C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)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(after methanolysis and trimethylsilylation )<<8013>>, GC-EIMS(after BF3-MeOH treatment and trimethylsilylation)(075/072): m/e=428[M], 413[M-CH3], 259[SMTO=CH(CH2)7- COOCH3], 242[CH3OCH-CH=CH-C(OTMS)(CH2)4CH3]
UV Spectra	l ether/max=229-230nm; e=16500 (a,b-unsaturated carbonyl)<<8013/8056>>
IR Spectra	Methyl ester: trans monoene(973cm-1), trans epoxide(885cm-1), cis epoxide(825 cm-1), conjugated carbonyl(1700, 1680, and 1635cm-1)<<8013>>
NMR Spectra	1H-NMR<<8013>>: C9(2.9ppm;trans epoxide), C10(3.20ppm; trans epoxide), C9(3.14ppm; cis-epoxide),C10(3.47ppm; cis epoxide), C11(6.57-6.63ppm), C12(6.34-6.36ppm), C14(2.52ppm), J9-10=2Hz(trans epoxide), J9-10=4Hz(cis epoxide), J11-12=16Hz(trans olefin)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18107EO02 See above. Gardner_HW et al. 1981 n.a. LBF18107EO02 See above. Gardner_HW et al. 1974 n.a. LBF18107EO02 See above. Schieberle_P et al. 1979