Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001552
PROPERTIES
| NPAID | NPA001552 |
|---|---|
| CLUSTER ID | 1005 |
| NODE ID | 867 |
| NAME | PAX9 |
| FORMULA | C54H103N15O9 |
| MOLECULAR WEIGHT (Da) | 1106.5140 |
| ACCURATE MASS (Da) | 1105.8063 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | nematophila (strain HGB081) |
| InChIKey | OMDQQPKXUMWXIB-FKTLCOADSA-N |
| InChI | InChI=1S/C54H103N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-24-39(70)37-46(71)63-38-47(72)64-41(30-23-36-62-54(59)60)49(74)66-45-29-17-22-35-61-48(73)40(25-13-18-31-55)65-50(75)42(26-14-19-32-56)67-51(76)43(27-15-20-33-57)68-52(77)44(69-53(45)78)28-16-21-34-58/h7-8,39-45,70H,2-6,9-38,55-58H2,1H3,(H,61,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)(H4,59,60,62)/b8-7-/t39-,40+,41+,42-,43-,44+,45-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCC[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 |
