Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020093
PROPERTIES
| NPAID | NPA020093 |
|---|---|
| CLUSTER ID | 6389 |
| NODE ID | 4422 |
| NAME | Capreomycin IA |
| FORMULA | C25H44N14O8 |
| MOLECULAR WEIGHT (Da) | 668.7170 |
| ACCURATE MASS (Da) | 668.3467 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | capreolus |
| InChIKey | JNIIDKODPGHQSS-CGLFUZANSA-N |
| InChI | InChI=1S/C25H44N14O8/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47)/b15-9-/t11-,12+,13-,14+,16+,18+/m1/s1 |
| SMILES | C1CN=C(N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CNC(=O)C[C@@H](CCCN)N)CO)N)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shiba, T; Nomoto, S; Wakamiya, T The chemical structure of capreomycin Experientia 1976 32 (9) 1109-1111. | ||
|---|---|---|---|
| DOI | 10.1007/BF01927571 | PMID | 61134 |
