magnesium; 3-carboxy-3-oxidanyl-pentanedioate; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: magnesium; 3-carboxy-3-oxidanyl-pentanedioate; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: magnesium; 3-carboxy-3-hydroxy-pentanedioate; (3R)-3-hydroxy-4-(trimethylammonio)butanoate CAS Name: magnesium; 3-carboxy-3-hydroxypentanedioate; (3R)-3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: magnesium; 3-carboxy-3-hydroxypentanedioate; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: magnesium; 3-carboxy-3-hydroxy-glutarate; (3R)-3-hydroxy-4-(trimethylammonio)butyrate Formula: C13H21MgNO10 MolecularWeight: 375.61154

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Mg+2]

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Mg+2]

InChI

InChI=1S/C7H15NO3.C6H8O7.Mg/c1-8(2,3)5-6(9)4-7(10)11;7-3(8)1-6(13,5(11)12)2-4(9)10;/h6,9H,4-5H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+2/p-2/t6-;;/m1../s1