5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; 2-oxidanylidenepentanedioic acid

Systemtic Name: 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; 2-oxidanylidenepentanedioic acid Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde; 2-oxopentanedioic acid CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; 2-oxopentanedioic acid IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde; 2-oxopentanedioic acid Traditional Name: 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde; 2-ketoglutaric acid Formula: C13H15NO8 MolecularWeight: 313.2601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO3.C5H6O5/c1-5-8(12)7(4-11)6(3-10)2-9-5;6-3(5(9)10)1-2-4(7)8/h2,4,10,12H,3H2,1H3;1-2H2,(H,7,8)(H,9,10)