Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025684
PROPERTIES
| NPAID | NPA025684 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Megapolibactin B |
| FORMULA | C38H67N11O19 |
| MOLECULAR WEIGHT (Da) | 982.0120 |
| ACCURATE MASS (Da) | 981.4615 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paraburkholderia |
| ORIGIN SPECIES | megapolitana |
| InChIKey | RGCKNHXAIUCLAC-UDJPLWHASA-N |
| InChI | InChI=1S/C38H67N11O19/c1-4-5-6-7-8-9-10-13-23(52)18-27(53)39-19-28(54)44-30(31(55)38(63)64)36(60)43-26(20-50)34(58)45-29(22(3)51)35(59)41-24(14-11-16-48(67)46-65)33(57)40-21(2)32(56)42-25(37(61)62)15-12-17-49(68)47-66/h21-26,29-31,50-52,55,67-68H,4-20H2,1-3H3,(H,39,53)(H,40,57)(H,41,59)(H,42,56)(H,43,60)(H,44,54)(H,45,58)(H,61,62)(H,63,64)/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](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 |
