BMFYB4ESa006
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 | 6244-91-3 |
| KEGG | C02939 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMFYB4ESa006.mol |
| 3-Methylbutanoyl-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-methylbutanethioic acid |
| Common Name |
|
| Symbol | |
| Formula | C26H44N7O17P3S |
| Exact Mass | 851.1727 |
| Average Mass | 851.6518 |
| SMILES | C([C@H](C(NCCC(=O)NCCSC(CC(C)C)=O)=O)O)(C)(C)COP(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
- CoA ⇔ this
- 4-Methyl-2-oxo-pentanoic acid ⇔ this
- this ⇔ 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- (8-Amino-8-oxo-3-sulfanyloctyl) 3-methylbutanethioic acid
