zinc; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioate

Systemtic Name: zinc; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioate Openeye Name: zinc; (3R)-3-hydroxy-4-(trimethylammonio)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate CAS Name: zinc; (3R)-3-hydroxy-4-(trimethylammonio)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate IUPAC Name: zinc; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate Traditional Name: zinc; (3R)-3-hydroxy-4-(trimethylammonio)butyrate; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyadipate Formula: C20H38N2O14Zn MolecularWeight: 595.92972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H15NO3.C6H10O8.Zn/c2*1-8(2,3)5-6(9)4-7(10)11;7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h2*6,9H,4-5H2,1-3H3;1-4,7-10H,(H,11,12)(H,13,14);/q;;;+2/p-2/t2*6-;1-,2+,3+,4-;/m11../s1