Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025683
PROPERTIES
| NPAID | NPA025683 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Megapolibactin A |
| FORMULA | C36H63N11O19 |
| MOLECULAR WEIGHT (Da) | 953.9580 |
| ACCURATE MASS (Da) | 953.4302 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paraburkholderia |
| ORIGIN SPECIES | megapolitana |
| InChIKey | IJKDECQEZBZGBZ-HRUAGVTDSA-N |
| InChI | InChI=1S/C36H63N11O19/c1-4-5-6-7-8-11-21(50)16-25(51)37-17-26(52)42-28(29(53)36(61)62)34(58)41-24(18-48)32(56)43-27(20(3)49)33(57)39-22(12-9-14-46(65)44-63)31(55)38-19(2)30(54)40-23(35(59)60)13-10-15-47(66)45-64/h19-24,27-29,48-50,53,65-66H,4-18H2,1-3H3,(H,37,51)(H,38,55)(H,39,57)(H,40,54)(H,41,58)(H,42,52)(H,43,56)(H,59,60)(H,61,62)/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](CO)C(=O)N[C@@H](C(=O)N[C@H](CCCN(O)N=O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCN(O)N=O)C(=O)O)[C@@H](C)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 |
