Metabolic Modeling Tutorial
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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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Escherichia coli K-12 substr. MG1655 Compound: ethidium

Synonyms: ethidium cation, homidium

Component of: AcrR-ethidium

Chemical Formula: C21H20N3

Molecular Weight: 314.41 Daltons

Monoisotopic Molecular Weight: 314.1657226576 Daltons

SMILES: CC[N+]3(C1(=C(C=CC(N)=C1)C4(C(C(C2(=CC=CC=C2))=3)=CC(N)=CC=4)))

InChI: InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1

InChIKey: InChIKey=QTANTQQOYSUMLC-UHFFFAOYSA-O

Unification Links: CAS:3546-21-2 , ChEBI:42478 , ChemSpider:3498 , PubChem:3624

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 126.31

In Reactions of unknown directionality:

Not in pathways:
AcrR + ethidium = AcrR-ethidium

In Transport reactions:
ethidium[cytosol]ethidium[periplasmic space]

Credits:
Created 04-Sep-2009 by Kothari A , SRI International


Report Errors or Provide Feedback
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 Thu Nov 27, 2014, biocyc13.