Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020094
PROPERTIES
| NPAID | NPA020094 |
|---|---|
| CLUSTER ID | 6389 |
| NODE ID | 4422 |
| NAME | Capreomycin IIA |
| FORMULA | C19H32N12O7 |
| MOLECULAR WEIGHT (Da) | 540.5420 |
| ACCURATE MASS (Da) | 540.2517 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | capreolus |
| InChIKey | XFGCTBYTRMLWCB-MRSVHRRQSA-N |
| InChI | InChI=1S/C19H32N12O7/c20-3-9-14(34)28-10(5-26-19(23)38)15(35)31-12(8-1-2-24-18(22)30-8)17(37)25-4-7(21)13(33)29-11(6-32)16(36)27-9/h5,7-9,11-12,32H,1-4,6,20-21H2,(H,25,37)(H,27,36)(H,28,34)(H,29,33)(H,31,35)(H3,22,24,30)(H3,23,26,38)/b10-5-/t7-,8+,9-,11-,12-/m0/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)CN)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 |
