Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00001059073 | Bronze | Ornibactin&C8 |
COMPOUND NPA015051
PROPERTIES
| NPAID | NPA015051 |
|---|---|
| CLUSTER ID | 1582 |
| NODE ID | 1298 |
| NAME | Ornibactin C8 |
| FORMULA | C30H56N8O13 |
| MOLECULAR WEIGHT (Da) | 736.8210 |
| ACCURATE MASS (Da) | 736.3967 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | tVV 69 |
| InChIKey | NJIOFEXYZOVVKA-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H56N8O13/c1-2-3-4-9-19(41)16-23(42)38(51)15-7-10-20(32)26(44)36-24(25(43)30(48)49)29(47)35-22(17-39)28(46)34-21(11-8-14-37(50)18-40)27(45)33-13-6-5-12-31/h18-22,24-25,39,41,43,50-51H,2-17,31-32H2,1H3,(H,33,45)(H,34,46)(H,35,47)(H,36,44)(H,48,49) |
| SMILES | CCCCCC(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 |
