Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025685
PROPERTIES
| NPAID | NPA025685 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Megapolibactin C |
| FORMULA | C40H71N11O19 |
| MOLECULAR WEIGHT (Da) | 1010.0660 |
| ACCURATE MASS (Da) | 1009.4928 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paraburkholderia |
| ORIGIN SPECIES | megapolitana |
| InChIKey | KOWVQDYFCAUUBM-CRXOGFNASA-N |
| InChI | InChI=1S/C40H71N11O19/c1-4-5-6-7-8-9-10-11-12-15-25(54)20-29(55)41-21-30(56)46-32(33(57)40(65)66)38(62)45-28(22-52)36(60)47-31(24(3)53)37(61)43-26(16-13-18-50(69)48-67)35(59)42-23(2)34(58)44-27(39(63)64)17-14-19-51(70)49-68/h23-28,31-33,52-54,57,69-70H,4-22H2,1-3H3,(H,41,55)(H,42,59)(H,43,61)(H,44,58)(H,45,62)(H,46,56)(H,47,60)(H,63,64)(H,65,66)/t23-,24+,25+,26+,27+,28-,31+,32+,33+/m0/s1 |
| SMILES | CCCCCCCCCCC[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 |
