BMMCBZ2Oa029
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 : BMMCBZ2O 2 substitutions (ortho) (38 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 144253-03-2 |
| KEGG | C12092 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Oa029.mol |
| N-Methyl-anthraniloyl-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] 2- (methylamino) benzenecarbothioic acid |
| Common Name |
|
| Symbol | |
| Formula | C29H43N8O17P3S |
| Exact Mass | 900.1679 |
| Average Mass | 900.6827 |
| SMILES | C(C(=O)NCCSC(=O)c(c4NC)cccc4)CNC(=O)[C@@H](C(C)(C) |
| Physicochemical Information | |
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| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
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| Spectral Information | |
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Related Atomic Mappings, Enzymes, and Pathways
