Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00003739957 | Bronze | Coelichelin |
| CCMSLIB00000072094 | Gold | 3!CCMSLIB00000072095 |
| CCMSLIB00012104969 | Gold | 4 |
| CCMSLIB00009944766 | Gold | 4 |
COMPOUND NPA009051
PROPERTIES
| NPAID | NPA009051 |
|---|---|
| CLUSTER ID | 243 |
| NODE ID | 223 |
| NAME | Coelichelin |
| FORMULA | C21H39N7O11 |
| MOLECULAR WEIGHT (Da) | 565.5810 |
| ACCURATE MASS (Da) | 565.2708 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | coelicolor |
| InChIKey | ZPJLQAOTGYKOBJ-OVYGPGRDSA-N |
| InChI | InChI=1S/C21H39N7O11/c1-13(31)17(25-19(33)15(23)6-3-9-27(38)12-30)20(34)28(39)10-4-7-16(21(35)36)24-18(32)14(22)5-2-8-26(37)11-29/h11-17,31,37-39H,2-10,22-23H2,1H3,(H,24,32)(H,25,33)(H,35,36)/t13-,14-,15-,16+,17-/m1/s1 |
| SMILES | C[C@H]([C@H](C(=O)N(CCC[C@@H](C(=O)O)NC(=O)[C@@H](CCCN(C=O)O)N)O)NC(=O)[C@@H](CCCN(C=O)O)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lautru, Sylvie; Deeth, Robert J; Bailey, Lianne M; Challis, Gregory L Discovery of a new peptide natural product by Streptomyces coelicolor genome mining Nature Chemical Biology 2005 1 (5) 265-269. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio731 | PMID | 16408055 |
SYNTHESES
| CITATION 1 | Williams JC; Sheldon JR; Imlay HD; Dutter BF; Draelos MM; Skaar EP; Sulikowski GA Synthesis of the Siderophore Coelichelin and Its Utility as a Probe in the Study of Bacterial Metal Sensing and Response. Organic Letters 2019 21 (3) 679-682. DOI: 10.1021/acs.orglett.8b03857 PMID: 30645132 | ||
|---|---|---|---|
