Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033107
PROPERTIES
| NPAID | NPA033107 |
|---|---|
| CLUSTER ID | 9547 |
| NODE ID | 4795 |
| NAME | Megapolibactin Acyc |
| FORMULA | C36H61N11O18 |
| MOLECULAR WEIGHT (Da) | 935.9430 |
| ACCURATE MASS (Da) | 935.4196 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paraburkholderia |
| ORIGIN SPECIES | megapolitana |
| InChIKey | KGDZOMCKCJGCOA-HRUAGVTDSA-N |
| InChI | InChI=1S/C36H61N11O18/c1-4-5-6-7-8-11-21(49)16-25(50)37-17-26(51)42-28(29(52)35(58)59)34(57)41-24-18-65-36(60)23(13-10-15-47(64)45-62)40-30(53)19(2)38-31(54)22(12-9-14-46(63)44-61)39-33(56)27(20(3)48)43-32(24)55/h19-24,27-29,48-49,52,61-62H,4-18H2,1-3H3,(H,37,50)(H,38,54)(H,39,56)(H,40,53)(H,41,57)(H,42,51)(H,43,55)(H,58,59)/t19-,20+,21+,22+,23+,24-,27+,28+,29+/m0/s1 |
| SMILES | CCCCCCC[C@@H](O)CC(=O)NCC(=O)N[C@@H](C(=O)N[C@H]1COC(=O)[C@@H](CCC[N+]([O-])=NO)NC(=O)[C@H](C)NC(=O)[C@@H](CCC[N+]([O-])=NO)NC(=O)[C@@H]([C@@H](C)O)NC1=O)[C@@H](O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hermenau, Ron; Mehl, Jule L; Ishida, Keishi; Dose, Benjamin; Pidot, Sacha J; Stinear, Timothy P; Hertweck, Christian Genomics-Driven Discovery of NO-Donating Diazeniumdiolate Siderophores in Diverse Plant-Associated Bacteria. Angewandte Chemie International Edition 2019 58 (37) 13024-13029. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201906326 | PMID | 31276269 |
