Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA019811
PROPERTIES
NPAID | NPA019811 |
---|---|
CLUSTER ID | 1005 |
NODE ID | 867 |
NAME | PAX4' |
FORMULA | C53H103N15O9 |
MOLECULAR WEIGHT (Da) | 1094.5030 |
ACCURATE MASS (Da) | 1093.8063 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Xenorhabdus |
ORIGIN SPECIES | nematophila |
InChIKey | ZRDROJGEAVQBQZ-LIPBXUNOSA-N |
InChI | InChI=1S/C53H103N15O9/c1-2-3-4-5-6-7-8-9-10-11-23-38(69)36-45(70)62-37-46(71)63-40(29-22-35-61-53(58)59)48(73)65-44-28-16-21-34-60-47(72)39(24-12-17-30-54)64-49(74)41(25-13-18-31-55)66-50(75)42(26-14-19-32-56)67-51(76)43(68-52(44)77)27-15-20-33-57/h38-44,69H,2-37,54-57H2,1H3,(H,60,72)(H,62,70)(H,63,71)(H,64,74)(H,65,73)(H,66,75)(H,67,76)(H,68,77)(H4,58,59,61)/t38-,39+,40+,41-,42-,43+,44-/m1/s1 |
SMILES | CCCCCCCCCCCC[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. | ||
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DOI | 10.1039/c1ob05097d | PMID | 21423922 |