2-[2-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]ethylideneamino]-3-phosphonooxy-propanoic acid

Systemtic Name: 2-[2-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]ethylideneamino]-3-phosphonooxy-propanoic acid Openeye Name: 2-[2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]ethylideneamino]-3-phosphonooxy-propanoic acid CAS Name: 2-[2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]ethylideneamino]-3-phosphonooxypropanoic acid IUPAC Name: 2-[2-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]ethylideneamino]-3-phosphonooxypropanoic acid Traditional Name: 2-[2-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)ethylideneamino]-3-phosphonooxy-propionic acid Formula: C12H17N2O8P MolecularWeight: 348.245741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CC=NC(COP(=O)(O)O)C(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CC=NC(COP(=O)(O)O)C(=O)O)CO

InChI

InChI=1S/C12H17N2O8P/c1-7-11(16)9(8(5-15)4-14-7)2-3-13-10(12(17)18)6-22-23(19,20)21/h3-4,10,15-16H,2,5-6H2,1H3,(H,17,18)(H2,19,20,21)