Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020095
PROPERTIES
| NPAID | NPA020095 |
|---|---|
| CLUSTER ID | 6389 |
| NODE ID | 4422 |
| NAME | Capreomycin IIB |
| FORMULA | C19H32N12O6 |
| MOLECULAR WEIGHT (Da) | 524.5430 |
| ACCURATE MASS (Da) | 524.2568 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | capreolus |
| InChIKey | MHBQQDNEPQYCOS-CBQPQWBASA-N |
| InChI | InChI=1S/C19H32N12O6/c1-7-13(32)28-10(4-20)15(34)29-11(6-26-19(23)37)16(35)31-12(9-2-3-24-18(22)30-9)17(36)25-5-8(21)14(33)27-7/h6-10,12H,2-5,20-21H2,1H3,(H,25,36)(H,27,33)(H,28,32)(H,29,34)(H,31,35)(H3,22,24,30)(H3,23,26,37)/b11-6-/t7-,8-,9+,10-,12-/m0/s1 |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCN=C(N2)N)CN |
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 |
