Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005435752 | Gold | Enterobactin |
| CCMSLIB00005436128 | Bronze | Enterobactin&[M-H2+Fe] |
| CCMSLIB00005436126 | Bronze | Enterobactin |
| CCMSLIB00005436298 | Gold | 3 |
| CCMSLIB00012107319 | Gold | 4 |
| CCMSLIB00012107320 | Gold | 4 |
| CCMSLIB00009947116 | Gold | 4 |
| CCMSLIB00009947117 | Gold | 4 |
COMPOUND NPA018623
PROPERTIES
| NPAID | NPA018623 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Enterobactin |
| FORMULA | C30H27N3O15 |
| MOLECULAR WEIGHT (Da) | 669.5520 |
| ACCURATE MASS (Da) | 669.1442 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Salmonella |
| ORIGIN SPECIES | typhimurium |
| InChIKey | SERBHKJMVBATSJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42) |
| SMILES | C1C(C(=O)OCC(C(=O)OCC(C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pollack, J Ri; Neilands, JB Enterobactin, an iron transport compound from Salmonella typhimurium Biochemical and Biophysical Research Communications 1970 38 (5) 989-992. | ||
|---|---|---|---|
| DOI | 10.1016/0006-291x(70)90819-3 | PMID | - |
