Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010873
PROPERTIES
| NPAID | NPA010873 |
|---|---|
| CLUSTER ID | 353 |
| NODE ID | 318 |
| NAME | Enterolysin A |
| FORMULA | C75H137N17O19S |
| MOLECULAR WEIGHT (Da) | 1613.0880 |
| ACCURATE MASS (Da) | 1611.9997 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Enterococcus |
| ORIGIN SPECIES | faecalis |
| InChIKey | BVAJGKKEPGGEID-GPPRCLEMSA-N |
| InChI | InChI=1S/C75H137N17O19S/c1-20-43(16)59(90-68(103)52(33-55(78)95)82-64(99)47(25-23-24-27-76)80-62(97)46(77)26-28-112-19)73(108)85-50(31-39(8)9)65(100)81-49(30-38(6)7)66(101)86-53(35-93)69(104)91-60(44(17)21-2)72(107)83-48(29-37(4)5)63(98)79-34-56(96)88-57(41(12)13)71(106)84-51(32-40(10)11)67(102)87-54(36-94)70(105)92-61(45(18)22-3)74(109)89-58(42(14)15)75(110)111/h37-54,57-61,93-94H,20-36,76-77H2,1-19H3,(H2,78,95)(H,79,98)(H,80,97)(H,81,100)(H,82,99)(H,83,107)(H,84,106)(H,85,108)(H,86,101)(H,87,102)(H,88,96)(H,89,109)(H,90,103)(H,91,104)(H,92,105)(H,110,111)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-,60-,61-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nilsen, T.; Nes, I. F.; Holo, H. Enterolysin A, a Cell Wall-Degrading Bacteriocin from Enterococcus faecalis LMG 2333 Applied and Environmental Microbiology 2003 69 (5) 2975-2984. | ||
|---|---|---|---|
| DOI | 10.1128/aem.69.5.2975-2984.2003 | PMID | 12732574 |
