BMMCBZ2Pa030
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 : BMMCBZ2P with 2 substitutions (para) (64 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 117411-05-9 |
| KEGG | C05338 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Pa030.mol |
| 4-Hydroxyphenylacetyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 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] 2- (4-hydroxyphenyl) ethanethioic acid |
| Common Name |
|
| Symbol | |
| Formula | C29H42N7O18P3S |
| Exact Mass | 901.1519 |
| Average Mass | 901.6674 |
| SMILES | C(C([C@H](C(=O)NCCC(NCCSC(Cc(c4)ccc(c4)O)=O)=O)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
