Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024966
PROPERTIES
| NPAID | NPA024966 |
|---|---|
| CLUSTER ID | 7603 |
| NODE ID | 5200 |
| NAME | Gramibactin B |
| FORMULA | C32H56N10O17 |
| MOLECULAR WEIGHT (Da) | 852.8530 |
| ACCURATE MASS (Da) | 852.3825 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Trinickia |
| ORIGIN SPECIES | caryophylli |
| InChIKey | DGRANLNYVKAJEA-DDAPDXDOSA-N |
| InChI | InChI=1S/C32H56N10O17/c1-4-5-6-7-8-13-21(45)36-25(26(47)32(54)55)30(51)38-24(18(3)44)29(50)37-23(17(2)43)28(49)35-19(11-9-14-41(58)39-56)27(48)33-16-22(46)34-20(31(52)53)12-10-15-42(59)40-57/h17-20,23-26,43-44,47,56-57H,4-16H2,1-3H3,(H,33,48)(H,34,46)(H,35,49)(H,36,45)(H,37,50)(H,38,51)(H,52,53)(H,54,55)/t17-,18-,19-,20-,23-,24+,25-,26-/m1/s1 |
| SMILES | CCCCCCCC(=O)N[C@H]([C@H](C(=O)O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](CCC[N+](=NO)[O-])C(=O)NCC(=O)N[C@H](CCC[N+](=NO)[O-])C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jiao, Junjing; Du, Jiayi; Frediansyah, Andri; Jahanshah, Ghazaleh; Gross, Harald Structure elucidation and biosynthetic locus of trinickiabactin from the plant pathogenic bacterium Trinickia caryophylli Journal of Antibiotics 2020 73 (1) 28-34. | ||
|---|---|---|---|
| DOI | 10.1038/s41429-019-0246-0 | PMID | 31605027 |
