Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025687
PROPERTIES
| NPAID | NPA025687 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Megapolibactin E |
| FORMULA | C38H67N11O20 |
| MOLECULAR WEIGHT (Da) | 998.0110 |
| ACCURATE MASS (Da) | 997.4564 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paraburkholderia |
| ORIGIN SPECIES | megapolitana |
| InChIKey | WCZJBTAFPATOQP-SOOMBEQHSA-N |
| InChI | InChI=1S/C38H67N11O20/c1-3-4-5-6-7-8-9-12-22(53)17-27(54)39-18-28(55)44-30(31(56)38(64)65)36(61)43-26(20-51)34(59)45-29(21(2)52)35(60)40-23(13-10-15-48(68)46-66)32(57)42-25(19-50)33(58)41-24(37(62)63)14-11-16-49(69)47-67/h21-26,29-31,50-53,56,68-69H,3-20H2,1-2H3,(H,39,54)(H,40,60)(H,41,58)(H,42,57)(H,43,61)(H,44,55)(H,45,59)(H,62,63)(H,64,65)/t21-,22-,23-,24-,25+,26+,29-,30-,31-/m1/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](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 |
