Molecule ID: 121513834

IUPAC Name: 2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxyprop-2-enoic acid

Description: The molecule is a uridine 5'-phosphate that is UMP in which the hydroxy hydrogen at position 3 has been replaced by an enolpyruvyl group. It has a role as a bacterial metabolite. It is a pyrimidine ribonucleoside 5'-monophosphate and a uridine 5'-phosphate. It derives from a uridine.

SMILES: C=C(O[C@H]1[C@@H](O)[C@H](n2ccc(O)nc2=O)O[C@@H]1COP(=O)(O)O)C(=O)O

SELFIES: [C][=C][Branch2][Ring2][Ring2][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][O][=N][C][Ring1][#Branch1][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H15N2O11P/c1-5(11(17)18)24-9-6(4-23-26(20,21)22)25-10(8(9)16)14-3-2-7(15)13-12(14)19/h2-3,6,8-10,16H,1,4H2,(H,17,18)(H,13,15,19)(H2,20,21,22)/t6-,8-,9-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 192.0 Ų
- LogP: -2.6