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

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate Openeye Name: 2-amino-3-sulfanyl-propanoic acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate CAS Name: 2-amino-3-mercaptopropanoic acid; (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate IUPAC Name: 2-amino-3-sulfanylpropanoic acid; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate Traditional Name: 2-amino-3-mercapto-propionic acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate Formula: C11H17N2O8PS MolecularWeight: 368.300041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10NO6P.C3H7NO2S/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;4-2(1-7)3(5)6/h2-3,11H,4H2,1H3,(H2,12,13,14);2,7H,1,4H2,(H,5,6)