Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033009
PROPERTIES
| NPAID | NPA033009 |
|---|---|
| CLUSTER ID | 1498 |
| NODE ID | 1230 |
| NAME | Kitacinnamycin E |
| FORMULA | C54H74N10O14 |
| MOLECULAR WEIGHT (Da) | 1087.2420 |
| ACCURATE MASS (Da) | 1086.5386 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. CGMCC 16924 |
| InChIKey | SUSGWYGMAVFEED-SILYKDPXSA-N |
| InChI | InChI=1S/C54H74N10O14/c1-28(2)23-38-54(77)78-32(9)47(61-40(66)21-19-34-17-13-14-18-35(34)20-22-43(69)70)53(76)59-37(25-39(55)65)49(72)64-46(31(7)8)52(75)58-36(24-33-15-11-10-12-16-33)48(71)63-44(29(3)4)50(73)57-26-41(67)56-27-42(68)62-45(30(5)6)51(74)60-38/h10-22,28-32,36-38,44-47H,23-27H2,1-9H3,(H2,55,65)(H,56,67)(H,57,73)(H,58,75)(H,59,76)(H,60,74)(H,61,66)(H,62,68)(H,63,71)(H,64,72)(H,69,70)/b21-19+,22-20+/t32-,36+,37-,38+,44-,45-,46-,47-/m1/s1 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)/C=C/C2=CC=CC=C2/C=C/C(=O)O)[C@@H](C)OC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shi, Jing; Liu, Cheng Li; Zhang, Bo; Guo, Wen Jie; Zhu, Jiapeng; Chang, Chin-Yuan; Zhao, Er Juan; Jiao, Rui Hua; Tan, Ren Xiang; Ge, Hui Ming Genome mining and biosynthesis of kitacinnamycins as a STING activator. Chemical Science 2019 10 (18) 4839-4846. | ||
|---|---|---|---|
| DOI | 10.1039/c9sc00815b | PMID | - |
