Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033006
PROPERTIES
| NPAID | NPA033006 |
|---|---|
| CLUSTER ID | 1498 |
| NODE ID | 1230 |
| NAME | Kitacinnamycin B |
| FORMULA | C67H96N10O24 |
| MOLECULAR WEIGHT (Da) | 1425.5510 |
| ACCURATE MASS (Da) | 1424.6599 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. CGMCC 16924 |
| InChIKey | LFAIQJUPDXIDHP-NPNDEIFVSA-N |
| InChI | InChI=1S/C67H96N10O24/c1-10-34(8)51-63(94)71-39(25-36-16-12-11-13-17-36)59(90)76-49(32(4)5)61(92)70-27-46(82)69-28-47(83)75-50(33(6)7)62(93)73-41(24-31(2)3)65(96)97-35(9)52(64(95)72-40(26-44(68)80)60(91)77-51)74-45(81)22-20-37-18-14-15-19-38(37)21-23-48(84)100-67-58(56(88)54(86)43(30-79)99-67)101-66-57(89)55(87)53(85)42(29-78)98-66/h11-23,31-35,39-43,49-58,66-67,78-79,85-89H,10,24-30H2,1-9H3,(H2,68,80)(H,69,82)(H,70,92)(H,71,94)(H,72,95)(H,73,93)(H,74,81)(H,75,83)(H,76,90)(H,77,91)/b22-20+,23-21+/t34-,35+,39-,40+,41-,42+,43+,49+,50+,51+,52+,53+,54+,55?,56-,57+,58+,66-,67-/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]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)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 | - |
