Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028413
PROPERTIES
| NPAID | NPA028413 |
|---|---|
| CLUSTER ID | 8501 |
| NODE ID | 5757 |
| NAME | Klebsazolicin |
| FORMULA | C76H107N27O30S3 |
| MOLECULAR WEIGHT (Da) | 1975.0520 |
| ACCURATE MASS (Da) | 1973.6839 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Klebsiella |
| ORIGIN SPECIES | pneumoniae |
| InChIKey | RSVIJELKMXTPMI-CKSXXEILSA-N |
| InChI | InChI=1S/C76H107N27O30S3/c1-29(2)12-35(62(122)84-19-56(117)118)88-54(115)17-81-53(114)16-83-71(131)57(33(6)109)102-69(129)47-28-135-74(100-47)38(15-52(80)113)94-59(119)30(3)85-63(123)40(21-105)95-60(120)31(4)86-66(126)44-25-133-72(98-44)36(13-50(78)111)93-65(125)41(22-106)96-68(128)46-27-136-75(101-46)42(23-107)97-61(121)32(5)87-67(127)45-26-134-73(99-45)37(14-51(79)112)89-55(116)18-82-70(130)48-8-7-11-103(48)76(132)43(24-108)91-58-34(9-10-49(77)110)92-64(124)39(20-104)90-58/h25-43,48,57,104-109H,7-24H2,1-6H3,(H2,77,110)(H2,78,111)(H2,79,112)(H2,80,113)(H,81,114)(H,82,130)(H,83,131)(H,84,122)(H,85,123)(H,86,126)(H,87,127)(H,88,115)(H,89,116)(H,90,91)(H,92,124)(H,93,125)(H,94,119)(H,95,120)(H,96,128)(H,97,121)(H,102,129)(H,117,118)/t30-,31-,32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,48?,57-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)C1=CSC([C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)C2=COC([C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)C3=CSC([C@H](CO)NC(=O)[C@H](C)NC(=O)C4=CSC([C@H](CC(N)=O)NC(=O)CNC(=O)C5CCCN5C(=O)[C@H](CO)NC5=N[C@@H](CO)C(=O)N[C@H]5CCC(N)=O)=N4)=N3)=N2)=N1)[C@@H](C)O)C(=O)NCC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Metelev M; Osterman IA; Ghilarov D; Khabibullina NF; Yakimov A; Shabalin K; Utkina I; Travin DY; Komarova ES; Serebryakova M; Artamonova T; Khodorkovskii M; Konevega AL; Sergiev PV; Severinov K; Polikanov YS Klebsazolicin inhibits 70S ribosome by obstructing the peptide exit tunnel. Nature Chemical Biology 2017 13 (10) 1129-1136. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio.2462 | PMID | 28846667 |
