Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014487
PROPERTIES
| NPAID | NPA014487 |
|---|---|
| CLUSTER ID | 1005 |
| NODE ID | 867 |
| NAME | PAX7 |
| FORMULA | C54H105N13O9 |
| MOLECULAR WEIGHT (Da) | 1080.5160 |
| ACCURATE MASS (Da) | 1079.8158 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | nematophila HGB081 |
| InChIKey | NJAVUVFOUFXADM-IGGZARBTSA-N |
| InChI | InChI=1S/C54H105N13O9/c1-2-3-4-5-6-7-8-9-10-11-12-25-40(68)38-47(69)61-39-48(70)62-42(27-14-20-33-56)50(72)64-46-31-18-24-37-60-49(71)41(26-13-19-32-55)63-51(73)43(28-15-21-34-57)65-52(74)44(29-16-22-35-58)66-53(75)45(67-54(46)76)30-17-23-36-59/h40-46,68H,2-39,55-59H2,1H3,(H,60,71)(H,61,69)(H,62,70)(H,63,73)(H,64,72)(H,65,74)(H,66,75)(H,67,76)/t40-,41+,42+,43-,44-,45+,46-/m1/s1 |
| SMILES | CCCCCCCCCCCCC[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 |
