3-oxidanyl-4-(trimethylazaniumyl)butanoate; [3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] phosphate

Systemtic Name: 3-oxidanyl-4-(trimethylazaniumyl)butanoate; [3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] phosphate Openeye Name: (1-formyl-2,3,4,5-tetrahydroxy-pentyl) phosphate; 3-hydroxy-4-(trimethylammonio)butanoate CAS Name: 3-hydroxy-4-(trimethylammonio)butanoate; (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) phosphate IUPAC Name: 3-hydroxy-4-(trimethylazaniumyl)butanoate; (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) phosphate Traditional Name: (1-formyl-2,3,4,5-tetrahydroxy-pentyl) phosphate; 3-hydroxy-4-(trimethylammonio)butyrate Formula: C13H26NO12P-2 MolecularWeight: 419.318801

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])O.C(C(C(C(C(C=O)OP(=O)([O-])[O-])O)O)O)O

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])O.C(C(C(C(C(C=O)OP(=O)([O-])[O-])O)O)O)O

InChI

InChI=1S/C7H15NO3.C6H13O9P/c1-8(2,3)5-6(9)4-7(10)11;7-1-3(9)5(10)6(11)4(2-8)15-16(12,13)14/h6,9H,4-5H2,1-3H3;2-7,9-11H,1H2,(H2,12,13,14)/p-2