BMFYB5CAa010
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 : BMFY Fatty acyl 脂肪酸 : BMFYB branched chain 分岐 (200 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 6247-73-0 |
| KEGG | C03231 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMFYB5CAa010.mol |
| 3-Methylglutaconyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (E) -5- [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] -3-methyl-5-oxopent-2-enoic acid |
| Common Name |
|
| Symbol | |
| Formula | C27H42N7O19P3S |
| Exact Mass | 893.1469 |
| Average Mass | 893.6454 |
| SMILES | C([C@H](C(NCCC(=O)NCCSC(=O)C=C(C)CC(O)=O)=O)O)(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-methylbut-2-enethioic acid ⇔ this
- (S) -3-Hydroxy-3-methyl-glutaryl-CoA ⇔ this
- CO2 ⇔ this
