BMMCBZ1Sa014
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName= | + | |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] 3-oxo-3-phenylpropanethioic acid |
|Common Name=&&Benzoyl acetyl-CoA&&Benzoyl acetyl coenzyme A&& | |Common Name=&&Benzoyl acetyl-CoA&&Benzoyl acetyl coenzyme A&& | ||
| − | |CAS= | + | |CAS=103319-60-4 |
|KEGG=C07118 | |KEGG=C07118 | ||
}} | }} | ||
Latest revision as of 15:31, 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 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ1S 0-1 substitution (53 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 103319-60-4 |
| KEGG | C07118 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ1Sa014.mol |
| Benzoyl acetyl-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] 3-oxo-3-phenylpropanethioic acid |
| Common Name |
|
| Symbol | |
| Formula | C30H42N7O18P3S |
| Exact Mass | 913.1519 |
| Average Mass | 913.6781 |
| SMILES | n(c(N)1)cnc(n([C@H](O3)[C@@H]([C@@H]([C@H]3COP(O)( |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
- this ⇔ S- [2- [3- [ [ (2R) -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] ethanethioate
- this ⇔ Benzoyl-CoA
