Molecule ID: 135886634

IUPAC Name: 4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]-2-hydroxybenzoic acid

Description: The molecule is a member of the class of pteroic acids that is 7,8-dihydropteroic acid carrying a phenolic hydroxy substituent at the position ortho to the carboxylic acid function. It has a role as a bacterial xenobiotic metabolite. It is a member of pteroic acids and a monohydroxybenzoic acid. It derives from a 7,8-dihydropteroic acid.

SMILES: N=c1nc(O)c2c([nH]1)NCC(CNc1ccc(C(=O)O)c(O)c1)=N2

SELFIES: [N][=C][N][=C][Branch1][C][O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][N][C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1]

InChI: InChI=1S/C14H14N6O4/c15-14-19-11-10(12(22)20-14)18-7(5-17-11)4-16-6-1-2-8(13(23)24)9(21)3-6/h1-3,16,21H,4-5H2,(H,23,24)(H4,15,17,19,20,22)

Molecular Properties:
- Polar Surface Area: 161.0 Ų
- LogP: 0.1