Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028370
PROPERTIES
| NPAID | NPA028370 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Klebsidin |
| FORMULA | C93H129N23O27S |
| MOLECULAR WEIGHT (Da) | 2033.2560 |
| ACCURATE MASS (Da) | 2031.9149 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Klebsiella |
| ORIGIN SPECIES | pneumoniae 4541−2 |
| InChIKey | XNBIEFNBLNDRGW-UHFFFAOYSA-N |
| InChI | InChI=1S/C93H129N23O27S/c1-8-49(5)77-91(141)103-56(28-29-70(121)97-42-71(122)102-65(46-117)87(137)109-63(40-74(125)126)81(131)99-44-73(124)115-31-16-22-66(115)89(139)113-78(50(6)9-2)92(142)114-77)82(132)106-59(34-51-18-12-10-13-19-51)84(134)107-60(35-52-20-14-11-15-21-52)85(135)111-64(39-69(95)120)93(143)116-32-17-23-67(116)88(138)110-62(38-68(94)119)80(130)98-43-72(123)112-76(48(3)4)90(140)104-57(30-33-144-7)83(133)108-61(37-54-41-96-47-101-54)86(136)105-58(79(129)100-45-75(127)128)36-53-24-26-55(118)27-25-53/h10-15,18-21,24-27,41,47-50,56-67,76-78,117-118H,8-9,16-17,22-23,28-40,42-46H2,1-7H3,(H2,94,119)(H2,95,120)(H,96,101)(H,97,121)(H,98,130)(H,99,131)(H,100,129)(H,102,122)(H,103,141)(H,104,140)(H,105,136)(H,106,132)(H,107,134)(H,108,133)(H,109,137)(H,110,138)(H,111,135)(H,112,123)(H,113,139)(H,114,142)(H,125,126)(H,127,128) |
| SMILES | CCC(C)C1NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)CCC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(C(=O)NC(CCSC)C(=O)NC(CC2=C[NH]C=N2)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NCC(=O)O)C(C)C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Metelev M; Arseniev A; Bushin LB; Kuznedelov K; Artamonova TO; Kondratenko R; Khodorkovskii M; Seyedsayamdost MR; Severinov K Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae. ACS Chemical Biology 2017 12 (3) 814-824. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.6b01154 | PMID | 28106375 |
