Updated BioCyc iOS App now
available in iTunes store
Updated BioCyc iOS App now
available in iTunes store
Updated BioCyc iOS App now
available in iTunes store
Updated BioCyc iOS App now
available in iTunes store
Updated BioCyc iOS App now
available in iTunes store
twitter

MetaCyc Compound: 3',5'-diiodothyronamine

Synonyms: 3',5'-T2AM, 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodo-phenol

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

Citations: [Piehl08]

Chemical Formula: C14H14NO2I2

Molecular Weight: 482.08 Daltons

Monoisotopic Molecular Weight: 481.9113896988 Daltons

3',5'-diiodothyronamine compound structure

SMILES: C([N+])CC1(C=CC(=CC=1)OC2(C=C(I)C(O)=C(I)C=2))

InChI: InChI=1S/C14H13I2NO2/c15-12-7-11(8-13(16)14(12)18)19-10-3-1-9(2-4-10)5-6-17/h1-4,7-8,18H,5-6,17H2/p+1

InChIKey: InChIKey=JNKNXEJLUBMMOQ-UHFFFAOYSA-O

Unification Links: PubChem:50986188

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): 180.25363Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

thyronamine and iodothyronamine metabolism :
3',5'-diiodothyronamine + an reduced unknown electron acceptor → 3'-iodothyronamine + iodide + an oxidized unknown electron acceptor + H+

Reactions known to produce the compound:

thyronamine and iodothyronamine metabolism :
3,3',5'-triiodothyronamine + an reduced unknown electron acceptor → 3',5'-diiodothyronamine + iodide + an oxidized unknown electron acceptor + H+

Credits:
Created 13-Jan-2011 by Fulcher CA, SRI International


References

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

Piehl08: Piehl S, Heberer T, Balizs G, Scanlan TS, Smits R, Koksch B, Kohrle J (2008). "Thyronamines are isozyme-specific substrates of deiodinases." Endocrinology 149(6);3037-45. PMID: 18339710


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 Feb 12, 2016, biocyc13.