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'-iodothyronamine

Synonyms: 3'T1AM, 4-[4-(2-aminoethyl)phenoxy]-2-iodo-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: [Piehl08a]

Chemical Formula: C14H15NO2I

Molecular Weight: 356.18 Daltons

Monoisotopic Molecular Weight: 355.0069216988 Daltons

SMILES: C([N+])CC1(=CC=C(C=C1)OC2(C=C(I)C(O)=CC=2))

InChI: InChI=1S/C14H14INO2/c15-13-9-12(5-6-14(13)17)18-11-3-1-10(2-4-11)7-8-16/h1-6,9,17H,7-8,16H2/p+1

InChIKey: InChIKey=HCYGDNGLWSZCCA-UHFFFAOYSA-O

Unification Links: PubChem:50986139

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 171.90474 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

thyronamine and iodothyronamine metabolism :
3'-iodothyronamine + a reduced electron acceptor → thyronamine + iodide + an oxidized electron acceptor + H+

Reactions known to produce the compound:

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

Piehl08a: 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 SRI International Pathway Tools version 18.5 on Sun Nov 23, 2014, biocyc14.