LBF18108MO01

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8036
LipidMaps	LMFA01080005
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18108MO01

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	13-Hydroxy-9,12-Dimethoxy-10-Octadecenoic Acid
Common Name
Symbol
Formula	C20H38O5
Exact Mass	358.271924326
Average Mass	358.51272
SMILES	C(C(OC)C=CC(OC)CCCCCCCC(O)=O)(O)CCCCC
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=173[SMTO=CH(CH2)4CH3](standard peak), 240[M-173-OCH3]
UV Spectra
IR Spectra	Methyl ester(CS2) Gardner et al.: trans olefin(975cm-1), OH(3570 and 3460cm-1)
NMR Spectra	1H-NMR(methyl ester; CDCl3,300MHz) Gardner et al.: C9(3.54-3.55ppm), C10(5.49-5.56ppm), C11(5.40-5.58ppm), C12(3.35-3.52ppm), C13(3.46-3.71ppm), C12OCH3(3.28-3.31ppm), C9OCH3(3.25-3.27ppm), J10-11=15.7Hz(trans unsaturation)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18108MO01 See above. Gardner_HW et al. 1984