Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004076
PROPERTIES
| NPAID | NPA004076 |
|---|---|
| CLUSTER ID | 1005 |
| NODE ID | 867 |
| NAME | PAX12 |
| FORMULA | C55H107N15O9 |
| MOLECULAR WEIGHT (Da) | 1122.5570 |
| ACCURATE MASS (Da) | 1121.8376 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | nematophila HGB081 |
| InChIKey | BUDKJEZKTRMYTO-IGGZARBTSA-N |
| InChI | InChI=1S/C55H107N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-25-40(71)38-47(72)64-39-48(73)65-42(31-24-37-63-55(60)61)50(75)67-46-30-18-23-36-62-49(74)41(26-14-19-32-56)66-51(76)43(27-15-20-33-57)68-52(77)44(28-16-21-34-58)69-53(78)45(70-54(46)79)29-17-22-35-59/h40-46,71H,2-39,56-59H2,1H3,(H,62,74)(H,64,72)(H,65,73)(H,66,76)(H,67,75)(H,68,77)(H,69,78)(H,70,79)(H4,60,61,63)/t40-,41+,42+,43-,44-,45+,46-/m1/s1 |
| SMILES | CCCCCCCCCCCCCC[C@H](CC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)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 |
