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
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
twitter

MetaCyc Compound: tetraiodothyroacetate ester glucuronide

Synonyms: tetraiodothyroacetic acid ester glucuronide

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: [Moreno94]

Chemical Formula: C20H15O10I4

Molecular Weight: 922.95 Daltons

Monoisotopic Molecular Weight: 923.6922187345999 Daltons

SMILES: C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(=CC(I)=C(C(I)=C2)OC3(C=C(I)C(O)=C(I)C=3))

InChI: InChI=1S/C20H16I4O10/c21-8-4-7(5-9(22)13(8)26)32-17-10(23)1-6(2-11(17)24)3-12(25)33-20-16(29)14(27)15(28)18(34-20)19(30)31/h1-2,4-5,14-16,18,20,26-29H,3H2,(H,30,31)/p-1/t14-,15-,16+,18-,20+/m0/s1

InChIKey: InChIKey=XZMJVZBEXSKSSM-KFYUBCHVSA-M

Unification Links: PubChem:44237214

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -62.90526 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

thyroid hormone metabolism II (via conjugation and/or degradation) :
tetraiodothyroacetate + UDP-α-D-glucuronate → tetraiodothyroacetate ester glucuronide + UDP

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


References

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

Moreno94: Moreno M, Kaptein E, Goglia F, Visser TJ (1994). "Rapid glucuronidation of tri- and tetraiodothyroacetic acid to ester glucuronides in human liver and to ether glucuronides in rat liver." Endocrinology 135(3);1004-9. PMID: 8070342


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 Sun Nov 23, 2014, biocyc14.