Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005946
PROPERTIES
| NPAID | NPA005946 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Microcin J25 |
| FORMULA | C101H139N23O27 |
| MOLECULAR WEIGHT (Da) | 2107.3570 |
| ACCURATE MASS (Da) | 2106.0211 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Escherichia |
| ORIGIN SPECIES | coli |
| InChIKey | TVZWTTNULXZYTK-UHFFFAOYSA-N |
| InChI | InChI=1S/C101H139N23O27/c1-11-55(7)84-98(148)108-50-80(134)119-86(58(10)126)101(151)124-38-20-26-74(124)96(146)122-85(56(8)12-2)99(149)117-72(51-125)94(144)116-68(39-59-21-15-13-16-22-59)90(140)113-67(41-61-27-31-64(127)32-28-61)88(138)106-46-76(130)103-45-75(129)104-47-77(131)110-57(9)87(137)105-48-78(132)111-71(43-63-44-102-52-109-63)93(143)121-83(54(5)6)100(150)123-37-19-25-73(123)95(145)112-66(35-36-81(135)136)89(139)114-69(42-62-29-33-65(128)34-30-62)91(141)115-70(40-60-23-17-14-18-24-60)92(142)120-82(53(3)4)97(147)107-49-79(133)118-84/h13-18,21-24,27-34,44,52-58,66-74,82-86,125-128H,11-12,19-20,25-26,35-43,45-51H2,1-10H3,(H,102,109)(H,103,130)(H,104,129)(H,105,137)(H,106,138)(H,107,147)(H,108,148)(H,110,131)(H,111,132)(H,112,145)(H,113,140)(H,114,139)(H,115,141)(H,116,144)(H,117,149)(H,118,133)(H,119,134)(H,120,142)(H,121,143)(H,122,146)(H,135,136) |
| SMILES | CCC(C)C1C(=O)NCC(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)C(C)C)CC4=CC=CC=C4)CC5=CC=C(C=C5)O)CCC(=O)O)C(C)C)CC6=CN=CN6)C)CC7=CC=C(C=C7)O)CC8=CC=CC=C8)CO)C(C)CC)C(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Blond, Alain; Péduzzi, Jean; Goulard, Christophe; Chiuchiolo, María J; Barthélémy, Michel; Prigent, Yann; Salomón, Raúl A; Farías, Ricardo N; Moreno, Felipe; Rebuffat, Sylvie The cyclic structure of microcin J25, a 21-residue peptide antibiotic from Escherichia coli European Journal of Biochemistry 1999 259 (3) 747-756. | ||
|---|---|---|---|
| DOI | 10.1046/j.1432-1327.1999.00085.x | PMID | 10092860 |
