Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033005
PROPERTIES
| NPAID | NPA033005 |
|---|---|
| CLUSTER ID | 1498 |
| NODE ID | 1230 |
| NAME | Kitacinnamycin A |
| FORMULA | C66H94N10O24 |
| MOLECULAR WEIGHT (Da) | 1411.5240 |
| ACCURATE MASS (Da) | 1410.6442 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. CGMCC 16924 |
| InChIKey | BUBGDTLTOWELPL-IAPKEWSDSA-N |
| InChI | InChI=1S/C66H94N10O24/c1-30(2)23-40-64(95)96-34(9)51(73-44(80)21-19-36-17-13-14-18-37(36)20-22-47(83)99-66-57(55(87)53(85)42(29-78)98-66)100-65-56(88)54(86)52(84)41(28-77)97-65)63(94)71-39(25-43(67)79)59(90)76-50(33(7)8)62(93)70-38(24-35-15-11-10-12-16-35)58(89)75-48(31(3)4)60(91)69-26-45(81)68-27-46(82)74-49(32(5)6)61(92)72-40/h10-22,30-34,38-42,48-57,65-66,77-78,84-88H,23-29H2,1-9H3,(H2,67,79)(H,68,81)(H,69,91)(H,70,93)(H,71,94)(H,72,92)(H,73,80)(H,74,82)(H,75,89)(H,76,90)/b21-19+,22-20+/t34-,38+,39-,40+,41-,42-,48-,49-,50-,51-,52-,53-,54?,55+,56-,57-,65+,66+/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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)C(O)[C@H]2O)[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 | - |
