Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00001059072 | Bronze | Ornibactin&C6 |
COMPOUND NPA002700
PROPERTIES
| NPAID | NPA002700 |
|---|---|
| CLUSTER ID | 1582 |
| NODE ID | 1298 |
| NAME | Ornibactin C6 |
| FORMULA | C28H52N8O13 |
| MOLECULAR WEIGHT (Da) | 708.7670 |
| ACCURATE MASS (Da) | 708.3654 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | tVV 69 |
| InChIKey | ZQCAUNGVEIYRKP-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H52N8O13/c1-2-7-17(39)14-21(40)36(49)13-5-8-18(30)24(42)34-22(23(41)28(46)47)27(45)33-20(15-37)26(44)32-19(9-6-12-35(48)16-38)25(43)31-11-4-3-10-29/h16-20,22-23,37,39,41,48-49H,2-15,29-30H2,1H3,(H,31,43)(H,32,44)(H,33,45)(H,34,42)(H,46,47) |
| SMILES | CCCC(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 |
