calcium; 2-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanoate; 2-oxidanylidenepropanoate

Systemtic Name: calcium; 2-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanoate; 2-oxidanylidenepropanoate Openeye Name: calcium; 2-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]acetate; 2-oxopropanoate CAS Name: calcium; 2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]acetate; 2-oxopropanoate IUPAC Name: calcium; 2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]acetate; 2-oxopropanoate Traditional Name: calcium; 2-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]acetate; pyruvate Formula: C11H17CaNO8 MolecularWeight: 331.33258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)[O-].CC(C)(CO)C(C(=O)NCC(=O)[O-])O.[Ca+2]

Isomeric SMILES

CC(=O)C(=O)[O-].CC(C)(CO)C(C(=O)NCC(=O)[O-])O.[Ca+2]

InChI

InChI=1S/C8H15NO5.C3H4O3.Ca/c1-8(2,4-10)6(13)7(14)9-3-5(11)12;1-2(4)3(5)6;/h6,10,13H,3-4H2,1-2H3,(H,9,14)(H,11,12);1H3,(H,5,6);/q;;+2/p-2