LBF18206HP05

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8006
LipidMaps	LMFA01040009
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18206HP05

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	14-Hydroperoxy-9,12-Octadecadienoic Acid
Common Name
Symbol
Formula	C18H32O4
Exact Mass	312.23005951199997
Average Mass	312.44428
SMILES	CCCCC(OO)C=CCC=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, reduction and trimethylsilylation)<<8050>>: m/e= 325[M-(CH2)3CH3] standard peak, 292[M-HOTMS], 235[325-HOTMS], 185[CH=CH-CH(OTMS)-(CH2)3CH3]
UV Spectra
IR Spectra
NMR Spectra	1H-NMR(after methanolyzation, reduction and 400MHz)<<8050>>: olefinic protons(5.32-5.47ppm) C14(4.45ppm), C11(2.85ppm), C8(2.05ppm), J9-10= J12-13= 10.08Å }0.1Hz(cis)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18206HP05 See above. Haslbeck_F et al. 1983