Cluster scaffolds:

NH2 OH O NH O OH O NH O OH O NH O OH O NH OH O NH O NH O NH O NH OH O NH O HO O NH O HO O NH HO O NH HO O NH HO O NH O NH OH O NH O OH O NH O HO O NH O NH2 O OH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
tyrocidine 0 0.64 0.59 0.58 1.0 Non detected. MIBiG Source CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O view tyrocidine NH O NH2 NH O NH O OH NH O NH2 O NH O NH2 O NH O NH O NH O N O NH O H
microcin J25 1 0.63 0.65 0.53 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N1)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)O view microcin J25 NH O NH O NH O NH O HO NH O O NH O NH O NH O NH O NH N NH O NH O N O NH O NH O NH O N O NH O NH HO O NH O NH OH O NH O OH HO H
lipopeptide 8D1-2 2 0.62 0.6 0.54 1.0 Non detected. MIBiG Source CCCC(O)C(O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(O)CON)c1ccc(O)cc1)[C@@H](C)O view lipopeptide 8D1-2 HO OH O NH OH O NH O NH NH O NH O OH O NH O OH O NH O NH O OH O NH O NH O NH O OH O NH NH O OH OH O NH2 OH OH
epidermin 3 0.6 0.61 0.5 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C1CSC(C)C(NC(=O)C2CSCC(NC(=O)C(C)NC(=O)C(N)C(C)CC)C(=O)NC(CCCCN)C(=O)NC(Cc3ccccc3)C(=O)NC(C(C)CC)C(=O)N2)C(=O)N2CCCC2C(=O)NCC(=O)N1)C(=O)NCC(=O)NC1CSCC2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CS/C=C\NC2=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccccc2)NC1=O view epidermin NH O H2N NH O NH O S NH O S NH O NH O H2N O NH NH2 O NH O NH O NH O N O NH O NH O NH O NH S NH O HO NH O S NH O NH O NH2 O NH O NH O
gallidermin 4 0.6 0.61 0.5 1.0 Non detected. MIBiG Source C/C=C(/NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H]1CS[C@@H](C)[C@@H](NC(=O)[C@H]2CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(=O)NCC(=O)N[C@@H]1CSC[C@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CS/C=C\NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O view gallidermin NH O H2N NH O NH O S NH O S NH O NH O H2N O NH NH2 O NH O NH O NH O N O NH O NH O NH O NH S NH O HO NH O S NH O NH O NH2 O NH O NH O H H H H