SMILES: C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CSC([N-]2)[C@H]3CSC(=N3)C4=CC=CC=C4O)O)C(=O)O.[Fe]
Description: The molecule is an iron coordination entity consisting of iron(III) coordinated as a 1:1 complex by three nitrogen electron pairs and three negatively charged oxygen atoms of yersiniabactin with a distorted octahedral coordination. It has a role as a bacterial metabolite and a virulence factor. It contains an iron(3+) and a yersiniabactin(1-).