Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005434
PROPERTIES
| NPAID | NPA005434 |
|---|---|
| CLUSTER ID | 1005 |
| NODE ID | 867 |
| NAME | PAX6 |
| FORMULA | C52H99N15O9 |
| MOLECULAR WEIGHT (Da) | 1078.4600 |
| ACCURATE MASS (Da) | 1077.7750 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | nematophila (strain HGB081) |
| InChIKey | AYZHFLVNHAQMID-JVYDVMDSSA-N |
| InChI | InChI=1S/C52H99N15O9/c1-2-3-4-5-6-7-8-9-10-22-37(68)35-44(69)61-36-45(70)62-39(28-21-34-60-52(57)58)47(72)64-43-27-15-20-33-59-46(71)38(23-11-16-29-53)63-48(73)40(24-12-17-30-54)65-49(74)41(25-13-18-31-55)66-50(75)42(67-51(43)76)26-14-19-32-56/h7-8,37-43,68H,2-6,9-36,53-56H2,1H3,(H,59,71)(H,61,69)(H,62,70)(H,63,73)(H,64,72)(H,65,74)(H,66,75)(H,67,76)(H4,57,58,60)/b8-7-/t37-,38+,39+,40-,41-,42+,43-/m1/s1 |
| SMILES | CCCCCC/C=C\CCC[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 |
