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: 5-bromo-4-chloro-3-indoxyl phosphate

Superclasses: an ion an anion

Component of: 5-bromo-4-chloro-3-indoxyl phosphate-p-toluidine

Chemical Formula: C8H4NO3PClBr

Molecular Weight: 308.45 Daltons

Monoisotopic Molecular Weight: 308.8957198841 Daltons

SMILES: C1(NC2(=C(C(P([O-])([O-])=O)=1)C(Cl)=C(Br)C=C2))

InChI: InChI=1S/C8H6BrClNO3P/c9-4-1-2-5-7(8(4)10)6(3-11-5)15(12,13)14/h1-3,11H,(H2,12,13,14)/p-2

InChIKey: InChIKey=LCMKIZCKYWDNNH-UHFFFAOYSA-L

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -132.72276 Inferred by computational analysis [Latendresse13]

Credits:
Created 16-Sep-2011 by Kothari A , SRI International


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 Sat Nov 22, 2014, BIOCYC14A.