Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00001059071 | Bronze | Ornibactin&C4 |
COMPOUND NPA008538
PROPERTIES
| NPAID | NPA008538 |
|---|---|
| CLUSTER ID | 1582 |
| NODE ID | 1298 |
| NAME | Ornibactin C4 |
| FORMULA | C26H48N8O13 |
| MOLECULAR WEIGHT (Da) | 680.7130 |
| ACCURATE MASS (Da) | 680.3341 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | tVV 69 |
| InChIKey | CODGHFHXEFKOMN-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H48N8O13/c1-15(37)12-19(38)34(47)11-4-6-16(28)22(40)32-20(21(39)26(44)45)25(43)31-18(13-35)24(42)30-17(7-5-10-33(46)14-36)23(41)29-9-3-2-8-27/h14-18,20-21,35,37,39,46-47H,2-13,27-28H2,1H3,(H,29,41)(H,30,42)(H,31,43)(H,32,40)(H,44,45) |
| SMILES | CC(CC(=O)N(CCCC(C(=O)NC(C(C(=O)O)O)C(=O)NC(CO)C(=O)NC(CCCN(C=O)O)C(=O)NCCCCN)N)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stephan, Holger; Freund, Stefan; Meyer, Jean-Marie; Winkelmann, Günther; Jung, Günther Structure Elucidation of the Gallium-Ornibactin Complex by 2D-NMR Spectroscopy Liebigs Annalen der Chemie 1993 1993 (1) 43-48. | ||
|---|---|---|---|
| DOI | 10.1002/jlac.199319930108 | PMID | 25855820 |
