RefMet Compound Details
MW structure | 70744 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Mycobactin S | |
Systematic name | [3-[(1-hydroxy-2-oxo-azepan-3-yl)amino]-1-methyl-3-oxo-propyl] 6-[hydroxy-[(E)-octadec-2-enoyl]amino]-2-[[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)oxazolidine-4-carbonyl]amino]hexanoate | |
SMILES | CCCCCCCCCCCCCCC/C=C/C(=O)N(CCCCC(C(=O)OC(C)CC(=O)NC1CCCCN(C1=O)O)NC(=O)C1CO/C(=C/2\C=CC=CC2=O)/N1)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 827.504445 (neutral) |