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MetaCyc Compound: 3-monoiodothyronine

Synonyms: 3-monoiodo-L-thyronine

Superclasses: an aromatic compound an iodoaromatic compound
an organohalogen compound a haloalkane an iodoalkane an iodoaromatic compound
an organohalogen compound an organoiodine compound an iodoalkane an iodoaromatic compound

Citations: [Kohrle02]

Chemical Formula: C15H14NO4I

Molecular Weight: 399.18 Daltons

Monoisotopic Molecular Weight: 398.996750943 Daltons

3-monoiodothyronine compound structure

SMILES: C(C(CC1(=CC(I)=C(C=C1)OC2(=CC=C(C=C2)O)))[N+])([O-])=O

InChI: InChI=1S/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)/t13-/m0/s1

InChIKey: InChIKey=SXQVOFSDWXYIRP-ZDUSSCGKSA-N

Unification Links: PubChem:40418818

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 82.30569 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

thyroid hormone metabolism I (via deiodination) :
3-monoiodothyronine + an unknown reduced electron acceptor → L-thyronine + iodide + an unknown oxidized electron acceptor + H+

Reactions known to produce the compound:

thyroid hormone metabolism I (via deiodination) :
3,3'-diiodothyronine + an unknown reduced electron acceptor → 3-monoiodothyronine + iodide + an unknown oxidized electron acceptor + H+
3,5-diiodothyronine + an unknown reduced electron acceptor → 3-monoiodothyronine + iodide + an unknown oxidized electron acceptor + H+

Credits:
Created 11-Jan-2011 by Fulcher CA , SRI International


References

Kohrle02: Kohrle J (2002). "Iodothyronine deiodinases." Methods Enzymol 347;125-67. PMID: 11898402

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
Page generated by SRI International Pathway Tools version 19.0 on Sat May 23, 2015, BIOCYC13B.