BMMCBZ1Sa041
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 : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ1S 0-1 substitution (53 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 7532-39-0 |
| KEGG | C00582 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ1Sa041.mol |
| Phenyl-acetyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Phenyl-acetyl-CoA |
| Common Name |
|
| Symbol | |
| Formula | C29H42N7O17P3S |
| Exact Mass | 885.157 |
| Average Mass | 885.668 |
| SMILES | C(C([C@H](C(=O)NCCC(NCCSC(Cc(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
