Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033007
PROPERTIES
| NPAID | NPA033007 |
|---|---|
| CLUSTER ID | 1498 |
| NODE ID | 1230 |
| NAME | Kitacinnamycin C |
| FORMULA | C62H89N11O18 |
| MOLECULAR WEIGHT (Da) | 1276.4530 |
| ACCURATE MASS (Da) | 1275.6387 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. CGMCC 16924 |
| InChIKey | YVFKTBDFYAEHEG-ZYEMZCIWSA-N |
| InChI | InChI=1S/C62H89N11O18/c1-31(2)25-42-61(88)90-35(9)51(70-45(77)23-22-39-20-15-14-19-38(39)21-16-24-89-62-52(66-36(10)75)54(81)53(80)43(30-74)91-62)60(87)68-41(27-44(63)76)56(83)73-50(34(7)8)59(86)67-40(26-37-17-12-11-13-18-37)55(82)72-48(32(3)4)57(84)65-28-46(78)64-29-47(79)71-49(33(5)6)58(85)69-42/h11-23,31-35,40-43,48-54,62,74,80-81H,24-30H2,1-10H3,(H2,63,76)(H,64,78)(H,65,84)(H,66,75)(H,67,86)(H,68,87)(H,69,85)(H,70,77)(H,71,79)(H,72,82)(H,73,83)/b21-16+,23-22+/t35-,40+,41-,42+,43-,48-,49-,50-,51-,52-,53-,54-,62-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](OC/C=C/C2=CC=CC=C2/C=C/C(=O)N[C@H]2C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H]2C)O[C@H](CO)[C@@H](O)[C@@H]1O |
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 | - |
