Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006044
PROPERTIES
| NPAID | NPA006044 |
|---|---|
| CLUSTER ID | 1582 |
| NODE ID | 1298 |
| NAME | Malleobactin D |
| FORMULA | C46H80N16O23 |
| MOLECULAR WEIGHT (Da) | 1225.2350 |
| ACCURATE MASS (Da) | 1224.5582 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | mallei |
| InChIKey | AOKYZSLJEULWJU-KOSIIYQHSA-N |
| InChI | InChI=1S/C46H80N16O23/c47-13-1-3-15-49-37(71)29(11-6-18-60(83)25-67)54-41(75)31(21-63)56-43(77)33(35(69)45(79)80)58-39(73)27(51-23-65)9-5-17-53-62(85)20-8-10-28(52-24-66)40(74)59-34(36(70)46(81)82)44(78)57-32(22-64)42(76)55-30(12-7-19-61(84)26-68)38(72)50-16-4-2-14-48/h23-36,63-64,69-70,83-84H,1-22,47-48H2,(H,49,71)(H,50,72)(H,51,65)(H,52,66)(H,54,75)(H,55,76)(H,56,77)(H,57,78)(H,58,73)(H,59,74)(H,79,80)(H,81,82)/b62-53-/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+/m0/s1 |
| SMILES | NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC/N=[N+](\[O-])CCC[C@H](NC=O)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C=O)C(=O)NCCCCN)[C@@H](O)C(=O)O)NC=O)[C@@H](O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Franke, Jakob; Ishida, Keishi; Ishida-Ito, Mie; Hertweck, Christian Nitro versus hydroxamate in siderophores of pathogenic bacteria: Effect of missing hydroxylamine protection in malleobactin biosynthesis Angewandte Chemie International Edition 2013 52 (32) 8271-8275. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201303196 | PMID | 23821334 |
