Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020908
PROPERTIES
| NPAID | NPA020908 |
|---|---|
| CLUSTER ID | 829 |
| NODE ID | 141 |
| NAME | Empedopeptin |
| FORMULA | C49H79N11O19 |
| MOLECULAR WEIGHT (Da) | 1126.2290 |
| ACCURATE MASS (Da) | 1125.5554 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Empedobacter |
| ORIGIN SPECIES | haloabium nov. sp. ATCC 31962 |
| InChIKey | WSCOCOSDPASNLN-KWFINCGOSA-N |
| InChI | InChI=1S/C49H79N11O19/c1-2-3-4-5-6-7-8-9-10-14-26-23-33(64)58-20-12-16-30(58)40(68)54-28(24-61)44(72)59-21-13-17-31(59)41(69)53-27(15-11-19-52-49(50)51)39(67)56-34(37(65)46(74)75)42(70)55-29(25-62)45(73)60-22-18-32(63)36(60)43(71)57-35(48(78)79-26)38(66)47(76)77/h26-32,34-38,61-63,65-66H,2-25H2,1H3,(H,53,69)(H,54,68)(H,55,70)(H,56,67)(H,57,71)(H,74,75)(H,76,77)(H4,50,51,52)/t26-,27+,28+,29-,30-,31+,32+,34+,35+,36-,37-,38-/m0/s1 |
| SMILES | CCCCCCCCCCC[C@H]1CC(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N4CC[C@H]([C@H]4C(=O)N[C@@H](C(=O)O1)[C@@H](C(=O)O)O)O)CO)[C@@H](C(=O)O)O)CCCN=C(N)N)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sugawara K; Numata K; Konishi M; Kawaguchi H Empedopeptin (BMY-28117), a new depsipeptide antibiotic. II. Structure determination Journal of Antibiotics 1984 37 (9) 958-964. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.37.958 | PMID | 6501109 |
