Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028988
PROPERTIES
| NPAID | NPA028988 |
|---|---|
| CLUSTER ID | 8576 |
| NODE ID | 5807 |
| NAME | Pantocin B |
| FORMULA | C9H17N3O6S |
| MOLECULAR WEIGHT (Da) | 295.3170 |
| ACCURATE MASS (Da) | 295.0838 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Erwinia |
| ORIGIN SPECIES | herbicola |
| InChIKey | QPOFRFGIYSXYSK-NTSWFWBYSA-N |
| InChI | InChI=1S/C9H17N3O6S/c1-5(10)8(14)12-4-11-7(13)3-6(9(15)16)19(2,17)18/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t5-,6+/m0/s1 |
| SMILES | C[C@H](N)C(=O)NCNC(=O)C[C@H](C(=O)O)S(C)(=O)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sean F. Brady, Sandra A. Wright, Julie C. Lee, Amanda E. Sutton, Cathy H. Zumoff, Richard S. Wodzinski, Steven V. Beer, Jon Clardy Pantocin B, an Antibiotic from Erwinia herbicola Discovered by Heterologous Expression of Cloned Genes Journal of the American Chemical Society 1991 121 (50) 11912-11913. | ||
|---|---|---|---|
| DOI | 10.1021/ja992790m | PMID | - |
