(2S,4Z,6E)-2-azanyl-7-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-5-oxidanyl-hepta-4,6-dienoic acid

Systemtic Name: (2S,4Z,6E)-2-azanyl-7-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-5-oxidanyl-hepta-4,6-dienoic acid Openeye Name: (2S,4Z,6E)-2-amino-5-hydroxy-7-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]hepta-4,6-dienoic acid CAS Name: (2S,4Z,6E)-2-amino-5-hydroxy-7-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]hepta-4,6-dienoic acid IUPAC Name: (2S,4Z,6E)-2-amino-5-hydroxy-7-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]hepta-4,6-dienoic acid Traditional Name: (2S,4Z,6E)-2-amino-5-hydroxy-7-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]hepta-4,6-dienoic acid Formula: C14H19N2O8P MolecularWeight: 374.283021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC=C(C(=C1O)/C=C/C(=C/C[C@@H](C(=O)O)N)/O)COP(=O)(O)O

InChI

InChI=1S/C14H19N2O8P/c1-8-13(18)11(9(6-16-8)7-24-25(21,22)23)4-2-10(17)3-5-12(15)14(19)20/h2-4,6,12,17-18H,5,7,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+,10-3-/t12-/m0/s1