Molecule ID: 167865

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

Description: The molecule is a hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrioxamine E. It has a role as a siderophore. It is a conjugate base of a desferrioxamine E.

SMILES: O=C1CCC(O)=NCCCCCN([O-])C(=O)CCC(O)=NCCCCCN([O-])C(=O)CCC(O)=NCCCCCN1[O-]

SELFIES: [O][=C][C][C][C][Branch1][C][O][=N][C][C][C][C][C][N][Branch1][C][O-1][C][=Branch1][C][=O][C][C][C][Branch1][C][O][=N][C][C][C][C][C][N][Branch1][C][O-1][C][=Branch1][C][=O][C][C][C][Branch1][C][O][=N][C][C][C][C][C][N][Ring2][Ring2][Branch2][O-1]

InChI: InChI=1S/C27H45N6O9/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/h1-21H2,(H,28,34)(H,29,35)(H,30,36)/q-3

Molecular Properties:
- Polar Surface Area: 217.0 Ų
- LogP: -2.5