Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: 3,3'-diiodothyronine

Synonyms: O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine, 3,3'-T2, tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodo-, 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid

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: [Bianco06]

Chemical Formula: C15H13NO4I2

Molecular Weight: 525.08 Daltons

Monoisotopic Molecular Weight: 524.8933939109 Daltons

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

InChI: InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1

InChIKey: InChIKey=CPCJBZABTUOGNM-LBPRGKRZSA-N

Unification Links: ChEBI:45698 , HMDB:HMDB05869 , MetaboLights:MTBLC45698 , PubChem:44237213

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 90.65457 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

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

Reactions known to produce the compound:

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

Credits:
Created 26-May-2009 by Fulcher CA , SRI International


References

Bianco06: Bianco AC, Kim BW (2006). "Deiodinases: implications of the local control of thyroid hormone action." J Clin Invest 116(10);2571-9. PMID: 17016550

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 SRI International Pathway Tools version 18.5 on Thu Nov 27, 2014, biocyc11.