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MetaCyc Compound: 3',5'-diiodothyronamine

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

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: [Piehl08]

Chemical Formula: C14H14NO2I2

Molecular Weight: 482.08 Daltons

Monoisotopic Molecular Weight: 480.9035646667 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 Change Formation (ΔfG in kcal/mol): 180.25363 Inferred 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


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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 19.0 on Sun Aug 2, 2015, biocyc12.