Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020613
PROPERTIES
| NPAID | NPA020613 |
|---|---|
| CLUSTER ID | 432 |
| NODE ID | 390 |
| NAME | Pradimicin FS |
| FORMULA | C41H46N2O23S |
| MOLECULAR WEIGHT (Da) | 966.8770 |
| ACCURATE MASS (Da) | 966.2212 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | spinosa AA0851 |
| InChIKey | NXBPDHXFSCZHOH-QWTDOIRKSA-N |
| InChI | InChI=1S/C41H46N2O23S/c1-11-5-17-24(31(51)21(11)38(55)43-18(9-44)39(56)57)23-15(8-16-25(32(23)52)28(48)14-6-13(61-4)7-19(46)22(14)27(16)47)29(49)35(17)64-40-33(53)36(26(42-3)12(2)62-40)65-41-34(54)37(66-67(58,59)60)30(50)20(10-45)63-41/h5-8,12,18,20,26,29-30,33-37,40-42,44-46,49-54H,9-10H2,1-4H3,(H,43,55)(H,56,57)(H,58,59,60)/t12-,18-,20-,26+,29-,30-,33-,34-,35-,36+,37+,40+,41+/m1/s1 |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](CO)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)OS(=O)(=O)O)O)NC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Saitoh K; Suzuki K; Hirano M; Furumai T; Oki T PRADIMICINS FS AND FB, NEW PRADIMICIN ANALOGS: DIRECTED PRODUCTION, STRUCTURES AND BIOLOGICAL ACTIVITIES Journal of Antibiotics 1993 46 (3) 398-405. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.398 | PMID | 8478258 |
