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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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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 Mon Dec 22, 2014, biocyc13.