LBGTGccc:18304HP01:18206SC05:18206SC05
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Fatty acid (脂肪酸) |
Glycerolipid (グリセロ脂質) |
Sphingolipid (スフィンゴ脂質) |
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IDs and Links | |
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LipidBank | NAG5239 |
LipidMaps | [1] |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBGTGccc:18304HP01:18206SC05:18206SC05 |
Glyceryl-1 (3) - (16'-hydroperoxy-9',12',14'-octadecatrienoyl) -2,3 (1,2) -dilinolenate | |
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Structural Information | |
Glyceryl-1 (3) - (16'-hydroperoxy-9',12',14'-octadecatrienoyl) -2,3 (1,2) -dilinolenate | |
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Formula | C59H96O8 |
Exact Mass | 932.7105200479999 |
Average Mass | 933.38874 |
SMILES | O=C(CCCCCCCC=CCC=CCC=CCC)OCCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)CCOC(=O)CCCCCCCC=CCC=CC=CC(OO)CC |
Physicochemical Information | |
Spectral Information | |
Mass Spectra | GC-EI-MS(After hydrolysis, hydrogenation, methylation, and silylation) <<5181>> GC-EI-MS(After hydrogenation, transmethtlation, and silylation) <<5178>>/<<5181>>, |
UV Spectra | Conjugated diene: λ Max = 232 NM ε = 21400(in MeOH) |
IR Spectra | Free C-OOH: 3431 CM-1 Bonded C-OOH: 3550-3200 CM-1 Olefinic H: 3007 CM-1 Conjugated C,T Unsaturation: 987,950 CM-1 |
NMR Spectra | 1H-NMR OOH(1H): 8.40 PPM CH=CH-CH=CH(4H): 5.42-6.55 PPM CH(Bonded OOH): 4.35 PPM C=C-CH2-C=C: 2.88 PPM 13C-NMR C=C-C=C-C=C: 126.94-132.42 PPM C-OOH: 86.7 PPM <<5181>>, |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | |||||||||||||||
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