(E)-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hex-4-enoic acid

Systemtic Name: (E)-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hex-4-enoic acid Openeye Name: (E)-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]hex-4-enoic acid CAS Name: (E)-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-4-hexenoic acid IUPAC Name: (E)-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hex-4-enoic acid Traditional Name: (E)-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]hex-4-enoic acid Formula: C14H21N2O7P MolecularWeight: 360.299501

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CCC(=O)O)NCC1=C(C(=NC=C1COP(=O)(O)O)C)O

Isomeric SMILES

C/C=C(\CCC(=O)O)/NCC1=C(C(=NC=C1COP(=O)(O)O)C)O

InChI

InChI=1S/C14H21N2O7P/c1-3-11(4-5-13(17)18)16-7-12-10(8-23-24(20,21)22)6-15-9(2)14(12)19/h3,6,16,19H,4-5,7-8H2,1-2H3,(H,17,18)(H2,20,21,22)/b11-3+