2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-1,2,3,6-tetrahydropyridin-4-yl]methylideneamino]-3-phosphonooxy-butanoic acid

Systemtic Name: 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-1,2,3,6-tetrahydropyridin-4-yl]methylideneamino]-3-phosphonooxy-butanoic acid Openeye Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-1,2,3,6-tetrahydropyridin-4-yl]methyleneamino]-3-phosphonooxy-butanoic acid CAS Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-1,2,3,6-tetrahydropyridin-4-yl]methylideneamino]-3-phosphonooxybutanoic acid IUPAC Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-1,2,3,6-tetrahydropyridin-4-yl]methylideneamino]-3-phosphonooxybutanoic acid Traditional Name: 2-[(3-hydroxy-2-methyl-5-methylol-1,2,3,6-tetrahydropyridin-4-yl)methyleneamino]-3-phosphonooxy-butyric acid Formula: C12H21N2O8P MolecularWeight: 352.277501

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=C(CN1)CO)C=NC(C(C)OP(=O)(O)O)C(=O)O)O

Isomeric SMILES

CC1C(C(=C(CN1)CO)C=NC(C(C)OP(=O)(O)O)C(=O)O)O

InChI

InChI=1S/C12H21N2O8P/c1-6-11(16)9(8(5-15)3-13-6)4-14-10(12(17)18)7(2)22-23(19,20)21/h4,6-7,10-11,13,15-16H,3,5H2,1-2H3,(H,17,18)(H2,19,20,21)