Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033076
PROPERTIES
| NPAID | NPA033076 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Frederiksenibactin |
| FORMULA | C48H65N9O19 |
| MOLECULAR WEIGHT (Da) | 1072.0920 |
| ACCURATE MASS (Da) | 1071.4397 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Yersinia |
| ORIGIN SPECIES | frederiksenii ATCC 33641 |
| InChIKey | YTIOHQGZCPYGOD-FSJACQRISA-N |
| InChI | InChI=1S/C48H65N9O19/c49-19-4-1-13-28(52-40(65)25-10-7-16-34(59)37(25)62)43(68)55-31(22-58)47(73)76-24-33(57-45(70)30(15-3-6-21-51)54-42(67)27-12-9-18-36(61)39(27)64)48(74)75-23-32(46(71)72)56-44(69)29(14-2-5-20-50)53-41(66)26-11-8-17-35(60)38(26)63/h7-12,16-18,28-33,58-64H,1-6,13-15,19-24,49-51H2,(H,52,65)(H,53,66)(H,54,67)(H,55,68)(H,56,69)(H,57,70)(H,71,72)/t28-,29-,30-,31-,32-,33-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)C1=C(O)C(O)=CC=C1)C(=O)N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)C1=C(O)C(O)=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)C1=C(O)C(O)=CC=C1)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Butler, Alison; Johnstone, Timothy C.; Reitz, Zachary L.; Stow, Parker R. Genomics-driven discovery of chiral triscatechol siderophores with enantiomeric Fe(iii) coordination Chemical Science 2021 12 (37) 12485-12493. | ||
|---|---|---|---|
| DOI | 10.1039/d1sc03541j | PMID | 34603680 |
