Molecule ID: 124037100

IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;iron

Description: The molecule is the complex formed between iron(III) and citrate. It has a role as an Escherichia coli metabolite. It derives from a citric acid.

SMILES: O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe]

SELFIES: [O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O].[Fe]

InChI: InChI=1S/2C6H8O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);

Molecular Properties:
- Polar Surface Area: 264.0 Ų
- LogP: nan