Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016630
PROPERTIES
| NPAID | NPA016630 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Champacyclin |
| FORMULA | C48H81N9O8 |
| MOLECULAR WEIGHT (Da) | 912.2310 |
| ACCURATE MASS (Da) | 911.6208 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. strain C42 |
| InChIKey | ARNLSFQSZWTPRF-YOHDJLIISA-N |
| InChI | InChI=1S/C48H81N9O8/c1-12-28(7)37-45(62)50-32(11)41(58)54-38(29(8)13-2)47(64)53-35(25-27(5)6)43(60)52-36(26-33-21-17-16-18-22-33)44(61)56-40(31(10)15-4)48(65)57-39(30(9)14-3)46(63)51-34(42(59)55-37)23-19-20-24-49/h16-18,21-22,27-32,34-40H,12-15,19-20,23-26,49H2,1-11H3,(H,50,62)(H,51,63)(H,52,60)(H,53,64)(H,54,58)(H,55,59)(H,56,61)(H,57,65)/t28-,29-,30-,31-,32+,34-,35+,36+,37+,38-,39-,40-/m0/s1 |
| SMILES | CC[C@H](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)N[C@@H](C(=O)N[C@@H](C(=O)N1)C)[C@@H](C)CC)CCCCN)[C@@H](C)CC)[C@@H](C)CC)CC2=CC=CC=C2)CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pesic, Alexander; Baumann, Heike I.; Kleinschmidt, Katrin; Ensle, Paul; Wiese, Jutta; Suessmuth, Roderich D.; Imhoff, Johannes F. Champacyclin, a new cyclic octapeptide from Streptomyces strain C42 isolated from the Baltic Sea Marine Drugs 2013 11 (12) 4834-4857. | ||
|---|---|---|---|
| DOI | 10.3390/md11124834 | PMID | 24317473 |
