Molecule ID: 16654916

IUPAC Name: iron;1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone

Description: The molecule is an Fe(III)-complexed hydroxamate siderophore consisting of norcardamine (desferrioxamine E) complexed to iron(III). It has a role as a bacterial metabolite. It contains an iron(3+) and a desferrioxamine E(3-).

SMILES: O=C1CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN1O.[Fe]

SELFIES: [O][=C][C][C][C][Branch1][C][O][=N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][=N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][=N][C][C][C][C][C][N][Ring2][Ring2][Branch2][O].[Fe]

InChI: InChI=1S/C27H48N6O9.Fe/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22;/h40-42H,1-21H2,(H,28,34)(H,29,35)(H,30,36);

Molecular Properties:
- Polar Surface Area: 209.0 Ų
- LogP: nan