Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033010
PROPERTIES
| NPAID | NPA033010 |
|---|---|
| CLUSTER ID | 1498 |
| NODE ID | 1230 |
| NAME | Kitacinnamycin F |
| FORMULA | C55H76N10O14 |
| MOLECULAR WEIGHT (Da) | 1101.2690 |
| ACCURATE MASS (Da) | 1100.5542 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. CGMCC 16924 |
| InChIKey | SZYOCWYVOQEMMI-XPZSMLQJSA-N |
| InChI | InChI=1S/C55H76N10O14/c1-10-32(8)47-53(76)59-37(25-34-16-12-11-13-17-34)49(72)64-45(30(4)5)51(74)58-27-42(68)57-28-43(69)63-46(31(6)7)52(75)61-39(24-29(2)3)55(78)79-33(9)48(54(77)60-38(26-40(56)66)50(73)65-47)62-41(67)22-20-35-18-14-15-19-36(35)21-23-44(70)71/h11-23,29-33,37-39,45-48H,10,24-28H2,1-9H3,(H2,56,66)(H,57,68)(H,58,74)(H,59,76)(H,60,77)(H,61,75)(H,62,67)(H,63,69)(H,64,72)(H,65,73)(H,70,71)/b22-20+,23-21+/t32-,33+,37-,38+,39-,45+,46+,47+,48+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1NC(=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)OC(=O)[C@H](CC(C)C)NC(=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)NC1=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 | - |
