BMFYB4CAa019
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 | 6008-93-1 |
| KEGG | C00531 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMFYB4CAa019.mol |
| Itaconyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 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] -2-methylidene-4-oxobutanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C26H40N7O19P3S |
| Exact Mass | 879.1312 |
| Average Mass | 879.6188 |
| SMILES | C([C@H](C(NCCC(NCCSC(=O)CC(C(O)=O)=C)=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
- CoA ⇔ this
- 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] -2-hydroxy-2-methyl-4-oxobutanoic acid ⇔ this
- Itaconic acid ⇔ this
- Succinyl-CoA ⇔ this
