4-azanylbutanoic acid; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

Systemtic Name: 4-azanylbutanoic acid; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate Openeye Name: 4-aminobutanoic acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate CAS Name: 4-aminobutanoic acid; (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate IUPAC Name: 4-aminobutanoic acid; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate Traditional Name: 4-aminobutyric acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate Formula: C12H19N2O8P MolecularWeight: 350.261621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.C(CC(=O)O)CN

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.C(CC(=O)O)CN

InChI

InChI=1S/C8H10NO6P.C4H9NO2/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;5-3-1-2-4(6)7/h2-3,11H,4H2,1H3,(H2,12,13,14);1-3,5H2,(H,6,7)