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

Systemtic Name: 2-azanylpentanedioic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde Openeye Name: 2-aminopentanedioic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde CAS Name: 2-aminopentanedioic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde IUPAC Name: 2-aminopentanedioic acid; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde Traditional Name: 2-aminoglutaric acid; 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO3.C5H9NO4/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;3H,1-2,6H2,(H,7,8)(H,9,10)