Molecule ID: 189741

IUPAC Name: 3-[[(1S)-1,3-dicarboxypropyl]carbamoyl]-3-hydroxypentanedioic acid

Description: The molecule is an N-acyl-L-glutamic acid in which the acyl group is specified as beta-citryl. It has a role as a human metabolite and an iron chelator. It is a tetracarboxylic acid and a N-acyl-L-glutamic acid. It derives from a citric acid.

SMILES: O=C(O)CC[C@H](N=C(O)C(O)(CC(=O)O)CC(=O)O)C(=O)O

SELFIES: [O][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring1][Branch2][N][=C][Branch1][C][O][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 199.0 Ų
- LogP: -2.8