pyridine-3-carboxamide; [3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl] phosphate

Systemtic Name: pyridine-3-carboxamide; [3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl] phosphate Openeye Name: (1-formyl-2,3,4-trihydroxy-butyl) phosphate; pyridine-3-carboxamide CAS Name: 3-pyridinecarboxamide; (3,4,5-trihydroxy-1-oxopentan-2-yl) phosphate IUPAC Name: pyridine-3-carboxamide; (3,4,5-trihydroxy-1-oxopentan-2-yl) phosphate Traditional Name: (1-formyl-2,3,4-trihydroxy-butyl) phosphate; nicotinamide Formula: C11H15N2O9P-2 MolecularWeight: 350.218561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N.C(C(C(C(C=O)OP(=O)([O-])[O-])O)O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N.C(C(C(C(C=O)OP(=O)([O-])[O-])O)O)O

InChI

InChI=1S/C6H6N2O.C5H11O8P/c7-6(9)5-2-1-3-8-4-5;6-1-3(8)5(9)4(2-7)13-14(10,11)12/h1-4H,(H2,7,9);2-6,8-9H,1H2,(H2,10,11,12)/p-2