LBF18109MO02

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8034
LipidMaps	LMFA01080003
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18109MO02

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	12-Hydroxy-11,13-Dimethoxy-9-Octadecenoic Acid
Common Name
Symbol
Formula	C20H38O5
Exact Mass	358.271924326
Average Mass	358.51272
SMILES	C(CCC(C(C(OC)C=CCCCCCCCC(O)=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)<<8070>>: m/e=329[M-CHOCH3(CH2)4CH3], 309[M-CH3(CH2)4-2CH3OH], 227[CHOCH3CH=CH(CH2)7COOCH3], 217[M-227](standard peak), 300[227+TMS], 115[CHOCH3(CH2)4CH3]
UV Spectra
IR Spectra	Methyl ester(CS2)<<8070>>: cis olefin(756cm-1), bonded OH(3460cm-1), free OH(3555cm-1)
NMR Spectra	1H-NMR(methyl ester;CDCl3,300MHz)<<8070>>: C9(5.70ppm), C10(5.27ppm), C11(3.98ppm), C12(3.56ppm), C13(3.13ppm), OH(2.48ppm), C11OCH3(3.36ppm), C13OCH3(3.28ppm), J9-10=11.2Hz(cis unsaturation)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18109MO02 See above. Gardner_HW et al. 1984