Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025686
PROPERTIES
| NPAID | NPA025686 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Megapolibactin D |
| FORMULA | C36H63N11O20 |
| MOLECULAR WEIGHT (Da) | 969.9570 |
| ACCURATE MASS (Da) | 969.4251 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paraburkholderia |
| ORIGIN SPECIES | megapolitana |
| InChIKey | LKAAHWJXJKOYFO-PEFXTSJUSA-N |
| InChI | InChI=1S/C36H63N11O20/c1-3-4-5-6-7-10-20(51)15-25(52)37-16-26(53)42-28(29(54)36(62)63)34(59)41-24(18-49)32(57)43-27(19(2)50)33(58)38-21(11-8-13-46(66)44-64)30(55)40-23(17-48)31(56)39-22(35(60)61)12-9-14-47(67)45-65/h19-24,27-29,48-51,54,66-67H,3-18H2,1-2H3,(H,37,52)(H,38,58)(H,39,56)(H,40,55)(H,41,59)(H,42,53)(H,43,57)(H,60,61)(H,62,63)/t19-,20-,21-,22-,23+,24+,27-,28-,29-/m1/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](CO)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 |
