5-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 5-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]pyrrolidine-2,4-dicarboxylic acid Openeye Name: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]pyrrolidine-2,4-dicarboxylic acid CAS Name: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]pyrrolidine-2,4-dicarboxylic acid Traditional Name: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]pyrrolidine-2,4-dicarboxylic acid Formula: C13H17N2O9P MolecularWeight: 376.255841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C2C(CC(N2)C(=O)O)C(=O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C2C(CC(N2)C(=O)O)C(=O)O)COP(=O)(O)O

InChI

InChI=1S/C13H17N2O9P/c1-5-11(16)9(6(3-14-5)4-24-25(21,22)23)10-7(12(17)18)2-8(15-10)13(19)20/h3,7-8,10,15-16H,2,4H2,1H3,(H,17,18)(H,19,20)(H2,21,22,23)