Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028369
PROPERTIES
| NPAID | NPA028369 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Acinetodin |
| FORMULA | C92H125N21O27 |
| MOLECULAR WEIGHT (Da) | 1957.1320 |
| ACCURATE MASS (Da) | 1955.9054 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Acinetobacter |
| ORIGIN SPECIES | gyllenbergii CIP 110306 |
| InChIKey | FZIYBBAIZQGTHJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C92H125N21O27/c1-7-48(4)77-90(138)107-64(36-51-16-9-8-10-17-51)84(132)103-61(30-32-69(119)96-42-70(120)97-43-71(121)101-59(20-13-14-34-93)80(128)99-45-73(123)113-35-15-21-67(113)88(136)110-77)83(131)111-78(49(5)114)92(140)108-65(39-54-41-95-58-19-12-11-18-57(54)58)87(135)109-76(47(2)3)89(137)112-79(50(6)115)91(139)104-60(31-33-74(124)125)81(129)98-44-72(122)102-66(40-68(94)118)86(134)106-63(38-53-24-28-56(117)29-25-53)85(133)105-62(82(130)100-46-75(126)127)37-52-22-26-55(116)27-23-52/h8-12,16-19,22-29,41,47-50,59-67,76-79,95,114-117H,7,13-15,20-21,30-40,42-46,93H2,1-6H3,(H2,94,118)(H,96,119)(H,97,120)(H,98,129)(H,99,128)(H,100,130)(H,101,121)(H,102,122)(H,103,132)(H,104,139)(H,105,133)(H,106,134)(H,107,138)(H,108,140)(H,109,135)(H,110,136)(H,111,131)(H,112,137)(H,124,125)(H,126,127) |
| SMILES | CCC(C)C1NC(=O)C2CCCN2C(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)CNC(=O)CCC(C(=O)NC(C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)NC(C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NCC(=O)O)C(C)O)C(C)C)C(C)O)NC(=O)C(CC2=CC=CC=C2)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 |
