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discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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Metabolic Modeling Tutorial
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Escherichia coli K-12 substr. MG1655 Compound: p-nitrophenyl acetate

Synonyms: pNP-acetate, p-nitrophenyl acetate (VAN), 4-nitrophenyl acetate, acetic acid p-nitrophenyl ester, p-acetoxynitrobenzene, p-nitrophenol acetate, acetic acid, 4-nitrophenyl ester

Superclasses: a nitrohydrocarbon a C-nitro compound

Chemical Formula: C8H7NO4

Molecular Weight: 181.15 Daltons

Monoisotopic Molecular Weight: 182.0453327504 Daltons

SMILES: CC(=O)OC1(=CC=C(C=C1)[N+]([O-])=O)

InChI: InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3

InChIKey: InChIKey=QAUUDNIGJSLPSX-UHFFFAOYSA-N

Unification Links: ChEBI:163929 , ChemSpider:12687 , PubChem:13243

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -110.93


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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 Thu Nov 20, 2014, BIOCYC14A.