LBF18107MO01

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8035
LipidMaps	LMFA01080004
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18107MO01

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	13-Hydroxy-9,10-Dimethoxy-11-Octadecenoic Acid
Common Name
Symbol
Formula	C20H38O5
Exact Mass	358.271924326
Average Mass	358.51272
SMILES	C(CCC(O)C=CC(C(OC)CCCCCCCC(O)=O)OC)CC
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) Gardner et al.: m/e=201[CHOCH3(CH2)7COOCH3](standard peak), 243[M-201] 173[SMTO=CH(CH2)4CH3]
UV Spectra
IR Spectra	Methyl ester(CS2) Gardner et al.: trans olefin(973-970cm-1), OH(3600 and 3440cm-1)
NMR Spectra	1H-NMR(methyl ester; CDCl3, 300MHz) Gardner et al.: C9(3.15-3.19ppm), C10(3.58-3.62ppm), C11(5.55-5.58ppm), C12(5.71ppm), C13(4.15ppm), C9OCH3(3.27-3.29ppm), C10OCH3(3.40-3.41ppm), J11-12=15.7Hz(trans unsaturation)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18107MO01 See above. Gardner_HW et al. 1984