MetaCyc Compound: tartrazine

Synonyms: FD & C Yellow no. 5

Superclasses: a dye
an aromatic compound
an organosulfur compounda sulfonate

Chemical Formula: C16H9N4O9S2

Molecular Weight: 465.39 Daltons

Monoisotopic Molecular Weight: 468.00456938490004 Daltons

tartrazine compound structure

SMILES: C1(C=C(C=CC=1NN=C2(C(C(=O)[O-])=NN(C2=O)C3(C=CC(=CC=3)S(=O)(=O)[O-])))S(=O)(=O)[O-])

InChI: InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,17H,(H,22,23)(H,24,25,26)(H,27,28,29)/p-3/b18-13-


Unification Links: PubChem:25245842

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -124.99846Inferred by computational analysis [Latendresse13]


Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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