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
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: 2-iodobenzoate

Superclasses: 2-halobenzoate
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

Chemical Formula: C7H4O2I

Molecular Weight: 247.01 Daltons

Monoisotopic Molecular Weight: 247.93342240469997 Daltons

SMILES: C(C1(C(I)=CC=CC=1))([O-])=O

InChI: InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/p-1

InChIKey: InChIKey=CJNZAXGUTKBIHP-UHFFFAOYSA-M

Unification Links: ChEBI:59122 , ChemSpider:3927132 , PubChem:4739928

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 5.7724233 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
2-iodobenzoate + NADH + H+ + oxygen → catechol + iodide + CO2 + NAD+


2-halobenzoate + NADH + oxygen + H+ → catechol + a halide anion + CO2 + NAD+


References

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


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 Thu Dec 18, 2014, biocyc14.