Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024848
PROPERTIES
| NPAID | NPA024848 |
|---|---|
| CLUSTER ID | 854 |
| NODE ID | 739 |
| NAME | Pacidamycin 3 |
| FORMULA | C39H49N9O13 |
| MOLECULAR WEIGHT (Da) | 851.8710 |
| ACCURATE MASS (Da) | 851.3450 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | coeruleorubidus |
| InChIKey | NMVHSWKLTKXTCN-UEXGXZKGSA-N |
| InChI | InChI=1S/C39H49N9O13/c1-19(40)32(53)43-27(15-22-7-5-9-24(49)13-22)35(56)47(4)21(3)31(34(55)41-18-26-17-29(51)36(61-26)48-12-11-30(52)45-39(48)60)46-33(54)20(2)42-38(59)44-28(37(57)58)16-23-8-6-10-25(50)14-23/h5-14,18-21,27-29,31,36,49-51H,15-17,40H2,1-4H3,(H,41,55)(H,43,53)(H,46,54)(H,57,58)(H2,42,44,59)(H,45,52,60)/b26-18-/t19-,20-,21-,27-,28-,29+,31-,36+/m0/s1 |
| SMILES | C[C@@H]([C@@H](C(=O)N/C=C\1/C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](C)NC(=O)N[C@@H](CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)NC(=O)[C@H](C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen RH; Buko AM; Whittern DN; McAlpine JB Pacidamycins, a novel series of antibiotics with anti-Pseudomonas aeruginosa activity. II. Isolation and structural elucidation. Journal of Antibiotics 1989 42 (4) 512-520. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.42.512 | PMID | 2498264 |
