LBF18109MO03

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8037
LipidMaps	LMFA01080006
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18109MO03

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid
Common Name
Symbol
Formula	C19H36O5
Exact Mass	344.256274262
Average Mass	344.48614000000003
SMILES	CCCCCC(O)C(O)C(OC)C=CCCCCCCCC(O)=O
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=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3]
UV Spectra
IR Spectra	Methyl ester(CS2) Gardner et al.: cis olefin(750cm-1), OH(3550 and 3490cm-1)
NMR Spectra	1H-NMR(methyl ester; CDCl3,300MHz) Gardner et al.: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18109MO03 See above. Gardner_HW et al. 1984