Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010953
PROPERTIES
| NPAID | NPA010953 |
|---|---|
| CLUSTER ID | 353 |
| NODE ID | 318 |
| NAME | Enterocin EJ97 |
| FORMULA | C88H144N20O18S2 |
| MOLECULAR WEIGHT (Da) | 1834.3760 |
| ACCURATE MASS (Da) | 1833.0409 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Enterococcus |
| ORIGIN SPECIES | faecalis |
| InChIKey | GJEPXAJQTZPUNG-UHFFFAOYSA-N |
| InChI | InChI=1S/C88H144N20O18S2/c1-12-54(7)73(105-80(118)64(36-43-128-11)97-72(112)49-94-77(115)61(26-16-19-37-89)98-75(113)55(8)95-81(119)65(45-52(4)5)101-76(114)60(92)35-42-127-10)85(123)100-63(28-18-21-39-91)78(116)99-62(27-17-20-38-90)79(117)103-67(47-57-24-14-13-15-25-57)87(125)107-40-23-30-70(107)84(122)104-68(48-71(93)111)88(126)108-41-22-29-69(108)83(121)102-66(46-58-33-31-53(6)32-34-58)82(120)106-74(56(9)110)86(124)96-59(50-109)44-51(2)3/h13-15,24-25,31-34,50-52,54-56,59-70,73-74,110H,12,16-23,26-30,35-49,89-92H2,1-11H3,(H2,93,111)(H,94,115)(H,95,119)(H,96,124)(H,97,112)(H,98,113)(H,99,116)(H,100,123)(H,101,114)(H,102,121)(H,103,117)(H,104,122)(H,105,118)(H,106,120) |
| SMILES | CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC(=O)N)C(=O)N3CCCC3C(=O)NC(CC4=CC=C(C=C4)C)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C=O)NC(=O)C(CCSC)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCSC)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gálvez, A; Valdivia, E; Abriouel, H; Camafeita, E; Mendez, E; Martínez-Bueno, M; Maqueda, M Isolation and characterization of enterocin EJ97, a bacteriocin produced by Enterococcus faecalis EJ97 Archives of Microbiology 1998 171 (1) 59. | ||
|---|---|---|---|
| DOI | 10.1007/s002030050678 | PMID | 9871020 |
