Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020611
PROPERTIES
| NPAID | NPA020611 |
|---|---|
| CLUSTER ID | 432 |
| NODE ID | 390 |
| NAME | Pradimicin S |
| FORMULA | C41H46N2O22S |
| MOLECULAR WEIGHT (Da) | 950.8780 |
| ACCURATE MASS (Da) | 950.2263 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | spinosa AA0851 |
| InChIKey | RTZKJDOHYVQXGI-BUULAXQMSA-N |
| InChI | InChI=1S/C41H46N2O22S/c1-11-6-18-24(31(50)21(11)38(54)43-12(2)39(55)56)23-16(9-17-25(32(23)51)28(47)15-7-14(60-5)8-19(45)22(15)27(17)46)29(48)35(18)63-40-33(52)36(26(42-4)13(3)61-40)64-41-34(53)37(65-66(57,58)59)30(49)20(10-44)62-41/h6-9,12-13,20,26,29-30,33-37,40-42,44-45,48-53H,10H2,1-5H3,(H,43,54)(H,55,56)(H,57,58,59)/t12-,13-,20+,26-,29-,30+,33+,34-,35+,36-,37-,40-,41-/m0/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](C)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; Tsuno T; Kakushima M; Hatori M; Furumai T; Oki T Pradimicin S, a new pradimicin analog. II. Isolation and structure elucidation. Journal of Antibiotics 1993 46 (3) 406-411. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.406 | PMID | 8267791 |
