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

Systemtic Name: 4-azanylbutanoic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; phosphoric acid Openeye Name: 4-aminobutanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde; phosphoric acid CAS Name: 4-aminobutanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; phosphoric acid IUPAC Name: 4-aminobutanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde; phosphoric acid Traditional Name: 4-aminobutyric acid; 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde; phosphoric acid Formula: C12H21N2O9P MolecularWeight: 368.276901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO3.C4H9NO2.H3O4P/c1-5-8(12)7(4-11)6(3-10)2-9-5;5-3-1-2-4(6)7;1-5(2,3)4/h2,4,10,12H,3H2,1H3;1-3,5H2,(H,6,7);(H3,1,2,3,4)