Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010803
PROPERTIES
| NPAID | NPA010803 |
|---|---|
| CLUSTER ID | 1005 |
| NODE ID | 867 |
| NAME | PAX8 |
| FORMULA | C56H109N13O9 |
| MOLECULAR WEIGHT (Da) | 1108.5700 |
| ACCURATE MASS (Da) | 1107.8471 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | nematophila HGB081 |
| InChIKey | XXSUSIVMMVAIAZ-PFDCQGBYSA-N |
| InChI | InChI=1S/C56H109N13O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-42(70)40-49(71)63-41-50(72)64-44(29-16-22-35-58)52(74)66-48-33-20-26-39-62-51(73)43(28-15-21-34-57)65-53(75)45(30-17-23-36-59)67-54(76)46(31-18-24-37-60)68-55(77)47(69-56(48)78)32-19-25-38-61/h42-48,70H,2-41,57-61H2,1H3,(H,62,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)/t42-,43+,44+,45-,46-,47+,48-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC[C@H](CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCCCN)CCCCN)CCCCN)CCCCN)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fuchs, Sebastian W; Proschak, Anna; Jaskolla, Thorsten W; Karas, Michael; Bode, Helge B Structure elucidation and biosynthesis of lysine-rich cyclic peptides in Xenorhabdus nematophila Organic & Biomolecular Chemistry 2011 9 (9) 3130-3132. | ||
|---|---|---|---|
| DOI | 10.1039/c1ob05097d | PMID | 21423922 |
