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

Systemtic Name: 5-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid Openeye Name: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]pyrrolidine-2,4,4-tricarboxylic acid CAS Name: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]pyrrolidine-2,4,4-tricarboxylic acid IUPAC Name: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid Traditional Name: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]pyrrolidine-2,4,4-tricarboxylic acid Formula: C14H17N2O11P MolecularWeight: 420.265341

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H17N2O11P/c1-5-9(17)8(6(3-15-5)4-27-28(24,25)26)10-14(12(20)21,13(22)23)2-7(16-10)11(18)19/h3,7,10,16-17H,2,4H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H2,24,25,26)