LBF18109EO01

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8008
LipidMaps	LMFA01070002
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18109EO01

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	12,13-Epoxy-9-Octadecenoic Acid
Common Name
Symbol
Formula	C18H32O3
Exact Mass	296.23514489
Average Mass	296.44488
SMILES	C(C(CC=CCCCCCCCC(O)=O)1)(CCCCC)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 solvolysation-trimethylsilylation in MeOH)<<8018/8062/8071>>: m/e= 299[SNTO=CH-CH2-CH=CH(CH2)7COOCH3], 217[CH3(CH2)4CH(OCH3)CHOTMS], 195[OHCCH2CH=CH(CH2)7CO], 173[ SMTO=CH(CH2)4CH3]
UV Spectra
IR Spectra	Trans olefin(960cm-1), cis olefin(720cm-1), trans epoxide(885cm-1), cis epoxide(840 and 820cm-1)<<8071>>
NMR Spectra	1H-NMR<<8071>>: C8(2.01ppm), C9, 10(5.45ppm), C2, 11(2.29ppm), C12, 13(2.91ppm), J9-10= 10Hz(cis olefin)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18109EO01 See above. Kato_T et al. 1986 n.a. LBF18109EO01 See above. Kleiman_R et al. 1973 n.a. LBF18109EO01 See above. Sessa_DJ et al. 1977 n.a. LBF18109EO01 See above. Wu_GS et al. 1977