(2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-1-ium-4-yl]methylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-1-ium-4-yl]methylamino]pentanedioic acid Openeye Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-1-ium-4-yl]methylamino]pentanedioic acid CAS Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridin-1-iumyl]methylamino]pentanedioic acid IUPAC Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-1-ium-4-yl]methylamino]pentanedioic acid Traditional Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-1-ium-4-yl]methylamino]glutaric acid Formula: C13H20N2O9P+ MolecularWeight: 379.279661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1O)CNC(CCC(=O)O)C(=O)O)COP(=O)(O)O

Isomeric SMILES

CC1=[NH+]C=C(C(=C1O)CN[C@@H](CCC(=O)O)C(=O)O)COP(=O)(O)O

InChI

InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/p+1/t10-/m0/s1