BMMCBZ1Sa023
From Metabolomics.JP
| 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 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ1S 0-1 substitution (53 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 254992-57-9 |
| KEGG | C09817 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ1Sa023.mol |
| Benzylsuccinyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3R) -4- [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] ethylsulfanyl] -4-oxo-3- (phenylmethyl) butanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C32H46N7O19P3S |
| Exact Mass | 957.1782 |
| Average Mass | 957.7307 |
| SMILES | C(OP(OP(O)(=O)OC[C@@H](O2)[C@@H](OP(O)(O)=O)[C@H]( |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
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| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
