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

Superclasses: an ion an anion an organic anion
an ion an organic ion an organic anion

Chemical Formula: C8H4NO3PClBr

Molecular Weight: 308.45 Daltons

Monoisotopic Molecular Weight: 308.8957198841 Daltons

5-bromo-4-chloro-3-indoxyl phosphate compound structure

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


Unification Links: PubChem:90657788

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

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


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

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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
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