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MetaCyc Compound: 3-monoiodothyronine

Synonyms: 3-monoiodo-L-thyronine

Superclasses: an aromatic compoundan iodoaromatic compound
an organohalogen compounda haloalkanean iodoalkanean iodoaromatic compound
an organohalogen compoundan organoiodine compoundan iodoalkanean iodoaromatic compound

Citations: [Kohrle02]

Chemical Formula: C15H14NO4I

Molecular Weight: 399.18 Daltons

Monoisotopic Molecular Weight: 400.0045759751 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 Formation (ΔfG in kcal/mol): 82.30569Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

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

Reactions known to produce the compound:

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


Report Errors or Provide Feedback
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 Pathway Tools version 19.5 (software by SRI International) on Fri Apr 29, 2016, biocyc14.