Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013392
PROPERTIES
| NPAID | NPA013392 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Szentiamide |
| FORMULA | C45H55N7O9 |
| MOLECULAR WEIGHT (Da) | 837.9750 |
| ACCURATE MASS (Da) | 837.4061 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | szentirmaii DSM 16338T S |
| InChIKey | LVGMCXZPNJMSFE-LLXAQUNHSA-N |
| InChI | InChI=1S/C45H55N7O9/c1-25(2)19-34(47-24-53)40(55)52-39-27(5)61-45(60)37(22-30-23-46-33-14-10-9-13-32(30)33)50-41(56)35(21-29-15-17-31(54)18-16-29)48-43(58)38(26(3)4)51-42(57)36(49-44(39)59)20-28-11-7-6-8-12-28/h6-18,23-27,34-39,46,54H,19-22H2,1-5H3,(H,47,53)(H,48,58)(H,49,59)(H,50,56)(H,51,57)(H,52,55)/t27-,34-,35+,36-,37+,38-,39?/m1/s1 |
| SMILES | C[C@@H]1C(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)C(C)C)CC5=CC=CC=C5)NC(=O)[C@@H](CC(C)C)NC=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ohlendorf, Birgit; Simon, Sven; Wiese, Jutta; Imhoff, Johannes F Szentiamide, an N-formylated cyclic depsipeptide from Xenorhabdus szentirmaii DSM 16338T Natural Product Communications 2011 6 (9) 1247-1250. | ||
|---|---|---|---|
| DOI | 10.1177/1934578X1100600909 | PMID | 21941889 |
