LBF18303HP02
From Jcbl.jp
| LipidBank Top (トップ) |
Fatty acid (脂肪酸) |
Glycerolipid (グリセロ脂質) |
Sphingolipid (スフィンゴ脂質) |
Journals (雑誌一覧) |
How to edit (ページの書き方) |
| IDs and Links | |
|---|---|
| LipidBank | |
| DFA8051 | |
| LipidMaps | |
| LMFA01040014 | |
| CAS | |
| KEGG | |
| {{{KEGG}}} | |
| KNApSAcK | |
| LBF18303HP02.mol | |
| 12-Hydroperoxy-9,13,15-octadecatrienoic acid | |
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| Structural Information | |
| Systematic Name | 12-Hydroperoxy-9,13,15-octadecatrienoic acid |
| Common Name |
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| Symbol | |
| Formula | C18H30O4 |
| Exact Mass | 310.21440944799997 |
| Average Mass | 310.4284 |
| SMILES | CCC=CC=CC(OO)CC=CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Refractive Index | |
| Solubility | |
| Source | Auto oxidation of linoleate Frankel_EN Frankel_EN Frankel_EN Chan_HWS et al.. Oxidation of linoleate by singlet oxygen Frankel_EN Frankel_EN Frankel_EN . |
| Chemical Synthesis | |
| Metabolism | |
| Biological Activity | Pysiological damages are induced by these hydroperoxides which are incorporated into bodies or synthesized endogenously. Logani_MK et al. Sevanian_A et al. Fujimoto_K . It reacts with DNA in the presence of Fe ions and ascorbic acid Fujimoto_K et al.. |
| Genetic Information | |
| Note | Isomerization of hydroperoxides: Positional isomers at 9, 12, 13, and 16 and their geometric isomers of cis, cis, trans- or cis, trans, trans are formed. The proportion of 9-, 16- isomers is higher than that of 12-, 13- isomers. |
| Spectral Information | |
| Mass Spectra | EI-MS(Me-ester; after reduction and hydrogenation) Chan_HWS Chan_HWS et al.: m/e=229[O=CH(CH2)10C(=OH)OCH3]; 200[CH2(CH2)9C(=OH)OCH3]; 197[O=CH(CH2)10C=O], GC-EI-MS(Me-ester; after reduction and TMS) TeraoJet al. Frankel_EN et al.: m/e=380[M]; 365[M-CH3]; 183[SMTO=CH-CH=CH-CH=CH-CH2-CH3] |
| UV Spectra | (Me-ester;after reduction;in ethanol) Chan_HWS et al., cis, trans, cis isomer: λ max=233nm , cis, trans, trans isomer: λ max=232nm |
| IR Spectra | (Me-ester; after reduction) Chan_HWS et al. Frankel_EN et al., cis, trans,cis isomer: 990-983 and 951-945cm-1; cis, trans, trans isomer: 992-983cm-1, (Me-ester) ToyodaIet al., OOH group: 3400cm-1 |
| NMR Spectra | |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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