Molecule ID: 181976

IUPAC Name: 3-hydroxypentanedioic acid

Description: The molecule is a 3 hydroxy carboxylic acid that is glutaric acid which is substituted by a hydroxy group at position 3. It is a diagnostic marker for glutaric aciduria type I. It has a role as a human urinary metabolite and a human blood serum metabolite. It is a 3-hydroxy carboxylic acid and an alpha,omega-dicarboxylic acid. It derives from a glutaric acid.

SMILES: O=C(O)CC(O)CC(=O)O

SELFIES: [O][=C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: -1.4