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

Systemtic Name: 2-azanylpentanedioic acid; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate Openeye Name: 2-aminopentanedioic acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate CAS Name: 2-aminopentanedioic acid; (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate IUPAC Name: 2-aminopentanedioic acid; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate Traditional Name: 2-aminoglutaric acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate Formula: C13H19N2O10P MolecularWeight: 394.271121

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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)C(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C8H10NO6P.C5H9NO4/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;6-3(5(9)10)1-2-4(7)8/h2-3,11H,4H2,1H3,(H2,12,13,14);3H,1-2,6H2,(H,7,8)(H,9,10)