BMMCHC--a013
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName=2- | + | |SysName=S- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] furan-2-carbothioic acid |
|Common Name=&&2-Furoyl-CoA&& | |Common Name=&&2-Furoyl-CoA&& | ||
| − | |CAS= | + | |CAS=22342-70-7 |
|KEGG=C00845 | |KEGG=C00845 | ||
}} | }} | ||
Latest revision as of 17:38, 17 June 2010
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCHC hetero cyclic ヘテロ環 (34 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 22342-70-7 |
| KEGG | C00845 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCHC--a013.mol |
| 2-Furoyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | S- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] furan-2-carbothioic acid |
| Common Name |
|
| Symbol | |
| Formula | C26H38N7O18P3S |
| Exact Mass | 861.1206 |
| Average Mass | 861.6035 |
| SMILES | C([C@H](C(NCCC(NCCSC(c(c4)occ4)=O)=O)=O)O)(C)(C)CO |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
