Molecule ID: 135398602

IUPAC Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one

Description: The molecule is a neopterin where positions C-7 and C-8 have been hydrogenated. It has a role as a metabolite, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a dihydropterin and a member of neopterins.

SMILES: N=c1nc(O)c2c([nH]1)NCC([C@H](O)[C@H](O)CO)=N2

SELFIES: [N][=C][N][=C][Branch1][C][O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][N][C][C][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][=N][Ring1][=N]

InChI: InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: -3.3