1 |
Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
nostocyclopeptide | 1 | 0.72 | 0.63 | 0.72 | 1.0 | Non detected. | MIBiG | Source | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)/N=C\[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@H](CO)NC1=O | view | nostocyclopeptide | ||
Desmethylsalinamide E | 2 | 0.66 | 0.59 | 0.62 | 1.0 | Non detected. | MIBiG | Source | CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](c2ccc(O)cc2)NC1=O | view | Desmethylsalinamide E | ||
pacidamycin 2 | 3 | 0.53 | 0.59 | 0.37 | 1.0 | Non detected. | MIBiG | Source | C[C@H](N)C(=O)N[C@@H](Cc1cccc(O)c1)C(=O)N(C)[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1 | view | pacidamycin 2 | ||
pacidamycin 7 | 4 | 0.52 | 0.58 | 0.35 | 1.0 | Non detected. | MIBiG | Source | C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1)[C@H](C)N(C)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)CN | view | pacidamycin 7 | ||
Ambactin | 0 | 0.75 | 0.66 | 0.75 | 1.0 | Non detected. | MIBiG | Source | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC1=O | view | Ambactin |
© 2018 Pharmaceutical Bioinformatics