LBF18207PG01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR1821 | |LipidBank=XPR1821 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1821 |
| LipidMaps | LMFA03010089 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18207PG01.mol |
| 2,3-DINOR-6-KETOPROSTAGLANDIN F1alpha | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 5- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) cyclopentan-1 (R) -yl ] -4-oxopentanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C18H30O6 |
| Exact Mass | 342.204238692 |
| Average Mass | 342.42719999999997 |
| SMILES | [C@@H]([C@@H](CC(=O)CCC(O)=O)1)(C=C[C@H](O)CCCCC)[ |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]20.2D= +16.9° (C=1.76 CHLOROFORM, measured after 24 hours at 20°C) <<1060>> |
| Solubility | METHANOL <<1059>> |
| Spectral Information | |
| Mass Spectra | METHOXIME TRI-TMS ETHER METHYL ESTER ; m/e 601(M+), 586, 570, 530, 511, 496, 480, 440, 421, 390, 350, 300, 294, 263, 217, 205, 191, 73 <<1059>> |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
