LBF18108HO06

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8040
LipidMaps	LMFA01050137
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18108HO06

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	9-Hydroxy-13-Oxo-10-Octadecenoic Acid
Common Name
Symbol
Formula	C18H32O4
Exact Mass	312.23005951199997
Average Mass	312.44428
SMILES	CCCCCC(=O)CC=CC(O)CCCCCCCC(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_HW et al. Sessa_DJ et al. Gardner_HW et al.: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 259[SMTO=CH-(CH2)7COOCH3], 241[M-(CH2)7COOCH3], 99[CH3(CH2)4CO] GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) Gardner_HW et al.
UV Spectra
IR Spectra	Metyl ester: isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1) Gardner_HW et al. Sessa_DJ et al.
NMR Spectra	1H-NMR(methyl ester, trans ene) Gardner_HW et al.: C9(4.08ppm), C10(5.56ppm), C11(5.7ppm), C12(3.11ppm), C2,14(2.33ppm)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18108HO06 See above. Gardner_HW et al. 1979 n.a. LBF18108HO06 See above. Gardner_HW et al. 1974 n.a. LBF18108HO06 See above. Sessa_DJ et al. 1977