Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025052
PROPERTIES
| NPAID | NPA025052 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Pacifibactin |
| FORMULA | C35H60N12O18 |
| MOLECULAR WEIGHT (Da) | 936.9310 |
| ACCURATE MASS (Da) | 936.4149 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Alcanivorax |
| ORIGIN SPECIES | pacificus |
| InChIKey | DRKCOUTVBQFDMD-XRTXDQJLSA-N |
| InChI | InChI=1S/C35H60N12O18/c1-15(36)21(50)13-22(51)44-23(25(52)33(60)61)30(57)41-17(7-3-4-10-39-35(37)38)28(55)45-24(26(53)34(62)63)31(58)43-20(14-48)29(56)40-18(8-5-11-46(64)16(2)49)27(54)42-19-9-6-12-47(65)32(19)59/h15,17-21,23-26,48,50,52-53,64-65H,3-14,36H2,1-2H3,(H,40,56)(H,41,57)(H,42,54)(H,43,58)(H,44,51)(H,45,55)(H,60,61)(H,62,63)(H4,37,38,39)/t15?,17-,18+,19-,20+,21?,23+,24-,25+,26-/m1/s1 |
| SMILES | CC(C(CC(=O)N[C@@H]([C@@H](C(=O)O)O)C(=O)N[C@H](CCCCN=C(N)N)C(=O)N[C@H]([C@H](C(=O)O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H]1CCCN(C1=O)O)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hardy CD; Butler A Ambiguity of NRPS Structure Predictions: Four Bidentate Chelating Groups in the Siderophore Pacifibactin. Journal of Natural Products 2019 82 (4) 990-997. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b01073 | PMID | 30869895 |
