Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033108
PROPERTIES
| NPAID | NPA033108 |
|---|---|
| CLUSTER ID | 9547 |
| NODE ID | 4795 |
| NAME | Megapolibactin Bcyc |
| FORMULA | C38H65N11O18 |
| MOLECULAR WEIGHT (Da) | 963.9970 |
| ACCURATE MASS (Da) | 963.4509 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paraburkholderia |
| ORIGIN SPECIES | megapolitana |
| InChIKey | JIHJWZNIMIENRY-UDJPLWHASA-N |
| InChI | InChI=1S/C38H65N11O18/c1-4-5-6-7-8-9-10-13-23(51)18-27(52)39-19-28(53)44-30(31(54)37(60)61)36(59)43-26-20-67-38(62)25(15-12-17-49(66)47-64)42-32(55)21(2)40-33(56)24(14-11-16-48(65)46-63)41-35(58)29(22(3)50)45-34(26)57/h21-26,29-31,50-51,54,65-66H,4-20H2,1-3H3,(H,39,52)(H,40,56)(H,41,58)(H,42,55)(H,43,59)(H,44,53)(H,45,57)(H,60,61)/t21-,22+,23+,24+,25+,26-,29+,30+,31+/m0/s1 |
| SMILES | CCCCCCCCC[C@@H](O)CC(=O)NCC(=O)N[C@@H](C(=O)N[C@H]1COC(=O)[C@@H](CCCN(O)N=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCN(O)N=O)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 |
