BMMCBZ1Sa017
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 25 July 2008
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 6756-74-7 |
| KEGG | C00512 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ1Sa017.mol |
| S-Benzoate coenzyme A | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Benzoyl-CoA |
| Common Name |
|
| Symbol | |
| Formula | C28H40N7O17P3S |
| Exact Mass | 871.1414 |
| Average Mass | 871.6414 |
| SMILES | C(C([C@@H](C(=O)NCCC(NCCSC(c(c4)cccc4)=O)=O)O)(C)C |
| 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
- 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 ⇔ this
- this ⇔ 2- (Benzoylamino) acetic acid
- this ⇔ CoA
- this ⇔ 4-Hydroxy-benzoyl-CoA
- Benzoic acid ⇔ this
