Cluster scaffolds:
1 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Xenotetrapeptide | 1 | 0.59 | 0.49 | 0.81 | 0.0 | Cl:0/1 | MIBiG | Source | CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC1=O | view | Xenotetrapeptide | ||
| Spiruchostatin A | 2 | 0.51 | 0.46 | 0.68 | 0.0 | Cl:0/1 | MIBiG | Source | CC(C)[C@H]1NC(=O)[C@H]2CSSCC/C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O | view | Spiruchostatin A | ||
| delta-(L-alpha-aminoadipyl)-L-cysteine-D-valine | 3 | 0.48 | 0.49 | 0.59 | 0.0 | Cl:0/1 | MIBiG | Source | CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] | view | delta-(L-alpha-aminoadipyl)-L-cysteine-D-valine | ||
| eponemycin | 4 | 0.45 | 0.47 | 0.54 | 0.0 | Cl:0/1 | MIBiG | Source | C=C(C)C[C@H](NC(=O)C(CO)NC(=O)CCCCC(C)C)C(=O)[C@@]1(CO)CO1 | view | eponemycin | ||
| Deoxy-Cyclochlorotine | 0 | 0.61 | 0.45 | 0.72 | 0.67 | Cl:2/1 | MIBiG | Source | CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](C)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O | view | Deoxy-Cyclochlorotine |