BMFYB4ESa002
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 25 July 2008
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | ? |
| KEGG | C03344 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMFYB4ESa002.mol |
| 2-Methylacetoacetyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 2-Methyl-3-acetoacetyl-CoA |
| Common Name |
|
| Symbol | |
| Formula | C26H42N7O18P3S |
| Exact Mass | 865.1519 |
| Average Mass | 865.6353 |
| SMILES | C([C@H](C(NCCC(NCCSC(=O)C(C(C)=O)C)=O)=O)O)(C)(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] (2S,3S) -3-hydroxy-2-methylbutanethioic acid ⇔ this
- 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 ⇔ Propanoyl-CoA
