Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025206
PROPERTIES
| NPAID | NPA025206 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Noursamycin E |
| FORMULA | C39H52ClN9O8 |
| MOLECULAR WEIGHT (Da) | 810.3530 |
| ACCURATE MASS (Da) | 809.3627 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | noursei NTR-SR4 |
| InChIKey | WHWFIHXYSMZHKF-YYGRSCHNSA-N |
| InChI | InChI=1S/C39H52ClN9O8/c1-19(2)29-37(55)44-26(11-8-14-41)34(52)49-31(32(50)33(42)51)39(57)46-28(16-22-18-43-25-13-12-23(40)17-24(22)25)36(54)48-30(20(3)4)38(56)45-27(35(53)47-29)15-21-9-6-5-7-10-21/h5-7,9-10,12-13,17-20,26-32,43,50H,8,11,14-16,41H2,1-4H3,(H2,42,51)(H,44,55)(H,45,56)(H,46,57)(H,47,53)(H,48,54)(H,49,52)/t26-,27-,28-,29-,30-,31-,32-/m0/s1 |
| SMILES | CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(C)C)CC3=CNC4=C3C=C(C=C4)Cl)[C@@H](C(=O)N)O)CCCN |
ORIGINAL ISOLATION REFERENCE
| CITATION | Mudalungu, Cynthia M.; Von Törne, Wipert J.; Voigt, Kerstin; Rückert, Christian; Schmitz, Stefan; Sekurova, Olga N.; Zotchev, Sergey B.; Süssmuth, Roderich D. Noursamycins, Chlorinated Cyclohexapeptides Identified from Molecular Networking of Streptomyces noursei NTR-SR4 Journal of Natural Products 2019 82 (6) 1478-1486. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00967 | PMID | 31181917 |
