LBF20502HP01
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8096 |
LipidMaps | - |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF20502HP01.mol |
Structural Information | |
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Systematic Name | 5-Hydroperoxy-6,8,11,14,17-Icosapentaenoic Acid/5-Hydroperoxy-6,8,11,14,17-Icosapentaenoate |
Common Name | |
Symbol | |
Formula | C20H30O4 |
Exact Mass | 334.21440944799997 |
Average Mass | 334.4498 |
SMILES | C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)=CCC |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | GC-EI-MS(Me-ester; after reduction and TMS-derivatization)<<8109/8118/8119/8121>>: m/e=404[M]; 389[M-CH3]; 314[M-HOTMS]; 303[M-(CH2)3COOCH3]; 255[M-CH2CH=CH(CH2)3CH3]; 213[303-HOTMS]; 203[SMTO=CH(CH2)3COOCH3] |
UV Spectra | UV(Me-ester)<<8109>>: conjugated diene: lmax=235.5nm; UV(after reduction)<<8121>>: conjugated diene: l=max=235nm |
IR Spectra | IR(Me-ester)<<8109>>: OOH group: 3400cm-1 |
NMR Spectra | 1H-NMR<<8109>>: OOH proton: 8.5ppm |
Chromatograms |