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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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Escherichia coli K-12 substr. MG1655 Compound: 2'-chloro-dCTP

Synonyms: 2'-chloro-2'-deoxycytidine-5'-triphosphate

Superclasses: an organic heterocyclic compound an organonitrogen heterocyclic compound a diazine a pyrimidine

Chemical Formula: C9H11N3O13P3Cl

Molecular Weight: 497.57 Daltons

Monoisotopic Molecular Weight: 500.9506248244 Daltons

SMILES: C(C2(C(C(Cl)C(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O

InChI: InChI=1S/C9H15ClN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/p-4/t4-,6?,7-,8-/m1/s1

InChIKey: InChIKey=ZKKUGXSIMCFICF-RNMRRNDGSA-J

Unification Links: PubChem:25200551

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -656.45

Enzymes inhibited by 2'-chloro-dCTP, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: ribonucleoside-triphosphate reductase [Eliasson94a]


References

Eliasson94a: Eliasson R, Pontis E, Eckstein F, Reichard P (1994). "Interactions of 2'-modified azido- and haloanalogs of deoxycytidine 5'-triphosphate with the anaerobic ribonucleotide reductase of Escherichia coli." J Biol Chem 1994;269(42);26116-20. PMID: 7929323


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Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 18.5 on Sat Dec 20, 2014, biocyc14.