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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: 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: [Piehl08]

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."

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 SRI International Pathway Tools version 18.5 on Sun Dec 21, 2014, biocyc13.