LBF18107EO01

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8012
LipidMaps	LMFA01070004
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18107EO01

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-Hydroxy-11-Octadecenoic Acid/9,10-Epoxy-13-Hydroxy-11-Octadecenoate
Common Name
Symbol
Formula	C18H32O4
Exact Mass	312.23005951199997
Average Mass	312.44428
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)<<8017/8056/8009/8012>>: m/e= 398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 241[M-(CH2)7COOCH3]
UV Spectra	l=277 and 316nm(very weak absorption)<<8009>>
IR Spectra	Metyl ester<<8017/8056/8009>>: trans olefin(965-958cm-1), trans epoxide(890-874 cm-1), cis epoxide(weak absorprion; 845 AND 830cm-1), free OH(3600cm-1),bonded OH(3640-3380cm-1)
NMR Spectra	1H-NMR(methyl ester)<<8017/8056/8009>>: C9(2.83ppm), C10(3.09-3.1ppm;trans epoxide), C11(5.45-5.53ppm), C12(5.93-5.95ppm), C13(3.9-4.2ppm), C12, 13(2.9-3.4ppm;cis epoxide), OH proton(3.6ppm), J11-12=15.6Hz(trans unsaturation), J9-10=2-2.2Hz(trans epoxide)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18107EO01 See above. Graveland_A_ 1970 n.a. LBF18107EO01 See above. Neff_WE et al. 1978 n.a. LBF18107EO01 See above. Schieberle_P et al. 1979