Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033008
PROPERTIES
| NPAID | NPA033008 |
|---|---|
| CLUSTER ID | 1498 |
| NODE ID | 1230 |
| NAME | Kitacinnamycin D |
| FORMULA | C63H91N11O18 |
| MOLECULAR WEIGHT (Da) | 1290.4800 |
| ACCURATE MASS (Da) | 1289.6544 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. CGMCC 16924 |
| InChIKey | PXODCZKUYVIPQW-QQGLOGFDSA-N |
| InChI | InChI=1S/C63H91N11O18/c1-11-35(8)51-60(87)68-41(27-38-18-13-12-14-19-38)56(83)73-49(33(4)5)58(85)66-29-47(79)65-30-48(80)72-50(34(6)7)59(86)70-43(26-32(2)3)62(89)91-36(9)52(61(88)69-42(28-45(64)77)57(84)74-51)71-46(78)24-23-40-21-16-15-20-39(40)22-17-25-90-63-53(67-37(10)76)55(82)54(81)44(31-75)92-63/h12-24,32-36,41-44,49-55,63,75,81-82H,11,25-31H2,1-10H3,(H2,64,77)(H,65,79)(H,66,85)(H,67,76)(H,68,87)(H,69,88)(H,70,86)(H,71,78)(H,72,80)(H,73,83)(H,74,84)/b22-17+,24-23+/t35-,36+,41-,42+,43-,44+,49+,50+,51+,52+,53+,54+,55+,63+/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/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=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 | - |
