(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate CAS Name: (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate Formula: C14H18NO13P MolecularWeight: 439.265381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10NO6P.C6H8O7/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,11H,4H2,1H3,(H2,12,13,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)