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7532-39-0
Catalog No.:AA00GFJY

7532-39-0 | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-phenylacetyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

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2.5mg
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$688.00   $481.00
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10mg
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25mg
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00GFJY
Chemical Name:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-phenylacetyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
CAS Number:
7532-39-0
Molecular Formula:
C29H42N7O17P3S
Molecular Weight:
885.6668
SMILES:
O=C(NCCSC(=O)Cc1ccccc1)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O
Properties
Computed Properties
 
Complexity:
1530  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
9  
Rotatable Bond Count:
22  
XLogP3:
-4  

Literature

Title: Protein-protein interactions in the β-oxidation part of the phenylacetate utilization pathway: crystal structure of the PaaF-PaaG hydratase-isomerase complex.

Journal: The Journal of biological chemistry 20121102

Title: Establishing a toolkit for precursor-directed polyketide biosynthesis: exploring substrate promiscuities of acid-CoA ligases.

Journal: Biochemistry 20120605

Title: Designation of enzyme activity of glycine-N-acyltransferase family genes and depression of glycine-N-acyltransferase in human hepatocellular carcinoma.

Journal: Biochemical and biophysical research communications 20120420

Title: An oxygenase that forms and deoxygenates toxic epoxide.

Journal: Nature 20120307

Title: Homology modeling of the structure of acyl coA:isopenicillin N-acyltransferase (IAT) from Penicillium chrysogenum. IAT interaction studies with isopenicillin-N, combining molecular dynamics simulations and docking.

Journal: Journal of molecular modeling 20120301

Title: Proteomics analysis of aromatic catabolic pathways in thermophilic Geobacillus thermodenitrificans NG80-2.

Journal: Journal of proteomics 20120202

Title: Isolation and characterization of styrene metabolism genes from styrene-assimilating soil bacteria Rhodococcus sp. ST-5 and ST-10.

Journal: Journal of bioscience and bioengineering 20120101

Title: Proteomics shows new faces for the old penicillin producer Penicillium chrysogenum.

Journal: Journal of biomedicine & biotechnology 20120101

Title: NRPS substrate promiscuity diversifies the xenematides.

Journal: Organic letters 20111007

Title: Phenylalanine induces Burkholderia cenocepacia phenylacetic acid catabolism through degradation to phenylacetyl-CoA in synthetic cystic fibrosis sputum medium.

Journal: Microbial pathogenesis 20110901

Title: Genomic analysis of the phenylacetyl-CoA pathway in Burkholderia xenovorans LB400.

Journal: Archives of microbiology 20110901

Title: Cloning and characterization of a novel CoA-ligase gene from Penicillium chrysogenum.

Journal: Folia microbiologica 20110501

Title: Studies on the mechanism of ring hydrolysis in phenylacetate degradation: a metabolic branching point.

Journal: The Journal of biological chemistry 20110401

Title: Membrane curvature during peroxisome fission requires Pex11.

Journal: The EMBO journal 20110105

Title: Spontaneous and evolutionary changes in the antibiotic resistance of Burkholderia cenocepacia observed by global gene expression analysis.

Journal: BMC genomics 20110101

Title: Regulation of phenylacetic acid uptake is σ54 dependent in Pseudomonas putida CA-3.

Journal: BMC microbiology 20110101

Title: Revealing the functions of the transketolase enzyme isoforms in Rhodopseudomonas palustris using a systems biology approach.

Journal: PloS one 20110101

Title: 3-Hydroxyphenylacetic acid induces the Burkholderia cenocepacia phenylacetic acid degradation pathway - toward understanding the contribution of aromatic catabolism to pathogenesis.

Journal: Frontiers in cellular and infection microbiology 20110101

Title: Crystallization and preliminary X-ray analysis of PaaAC, the main component of the hydroxylase of the Escherichia coli phenylacetyl-coenzyme A oxygenase complex.

Journal: Acta crystallographica. Section F, Structural biology and crystallization communications 20100901

Title: Identification and characterization of the PhhR regulon in Pseudomonas putida.

Journal: Environmental microbiology 20100601

Title: Regulation and compartmentalization of β-lactam biosynthesis.

Journal: Microbial biotechnology 20100501

Title: The complete multipartite genome sequence of Cupriavidus necator JMP134, a versatile pollutant degrader.

Journal: PloS one 20100101

Title: Engineered biosynthesis of plant polyketides: structure-based and precursor-directed approach.

Journal: Topics in current chemistry 20100101

Title: Functional analysis and subcellular localization of two geranylgeranyl diphosphate synthases from Penicillium paxilli.

Journal: Molecular genetics and genomics : MGG 20090901

Title: Intracellular 2-keto-3-deoxy-6-phosphogluconate is the signal for carbon catabolite repression of phenylacetic acid metabolism in Pseudomonas putida KT2440.

Journal: Microbiology (Reading, England) 20090701

Title: Matching the proteome to the genome: the microbody of penicillin-producing Penicillium chrysogenum cells.

Journal: Functional & integrative genomics 20090501

Title: Characterization of a phenylacetate-CoA ligase from Penicillium chrysogenum.

Journal: The Biochemical journal 20090115

Title: Exploring and dissecting genome-wide gene expression responses of Penicillium chrysogenum to phenylacetic acid consumption and penicillinG production.

Journal: BMC genomics 20090101

Title: Recurring cluster and operon assembly for Phenylacetate degradation genes.

Journal: BMC evolutionary biology 20090101

Title: A comparative genomics study of genetic products potentially encoding ladderane lipid biosynthesis.

Journal: Biology direct 20090101

Title: The PHA Depolymerase Engineering Database: A systematic analysis tool for the diverse family of polyhydroxyalkanoate (PHA) depolymerases.

Journal: BMC bioinformatics 20090101

Title: Molecular characterization of a fungal gene paralogue of the penicillin penDE gene of Penicillium chrysogenum.

Journal: BMC microbiology 20090101

Title: Analysis of proteins with the 'hot dog' fold: prediction of function and identification of catalytic residues of hypothetical proteins.

Journal: BMC structural biology 20090101

Title: Non mycobacterial virulence genes in the genome of the emerging pathogen Mycobacterium abscessus.

Journal: PloS one 20090101

Title: Genome-scale comparison and constraint-based metabolic reconstruction of the facultative anaerobic Fe(III)-reducer Rhodoferax ferrireducens.

Journal: BMC genomics 20090101

Title: Regulation of phenylacetic acid degradation genes of Burkholderia cenocepacia K56-2.

Journal: BMC microbiology 20090101

Title: Benzoyl-coenzyme A thioesterase of Azoarcus evansii: properties and function.

Journal: Archives of microbiology 20081001

Title: Metabolic reconstruction of aromatic compounds degradation from the genome of the amazing pollutant-degrading bacterium Cupriavidus necator JMP134.

Journal: FEMS microbiology reviews 20080801

Title: Phenylacetate metabolism in thermophiles: characterization of phenylacetate-CoA ligase, the initial enzyme of the hybrid pathway in Thermus thermophilus.

Journal: Current microbiology 20080701

Title: Genetic analyses and molecular characterization of the pathways involved in the conversion of 2-phenylethylamine and 2-phenylethanol into phenylacetic acid in Pseudomonas putida U.

Journal: Environmental microbiology 20080201

Title: Production of functionally active Penicillium chrysogenum isopenicillin N synthase in the yeast Hansenula polymorpha.

Journal: BMC biotechnology 20080101

Title: The interplay of StyR and IHF regulates substrate-dependent induction and carbon catabolite repression of styrene catabolism genes in Pseudomonas fluorescens ST.

Journal: BMC microbiology 20080101

Title: Reprogramming Hansenula polymorpha for penicillin production: expression of the Penicillium chrysogenum pcl gene.

Journal: FEMS yeast research 20071001

Title: Molecular cloning and functional identification of a novel phenylacetyl-CoA ligase gene from Penicillium chrysogenum.

Journal: Biochemical and biophysical research communications 20070824

Title: Styrene lower catabolic pathway in Pseudomonas fluorescens ST: identification and characterization of genes for phenylacetic acid degradation.

Journal: Archives of microbiology 20070801

Title: Genomic analysis reveals the major driving forces of bacterial life in the rhizosphere.

Journal: Genome biology 20070101

Title: Characterization of the substrate specificity of PhlD, a type III polyketide synthase from Pseudomonas fluorescens.

Journal: The Journal of biological chemistry 20061020

Title: Crystal structure of human thioesterase superfamily member 2.

Journal: Biochemical and biophysical research communications 20061013

Title: Amplification and disruption of the phenylacetyl-CoA ligase gene of Penicillium chrysogenum encoding an aryl-capping enzyme that supplies phenylacetic acid to the isopenicillin N-acyltransferase.

Journal: The Biochemical journal 20060401

Title: Induction and quantification of phenylacyl-CoA ligase enzyme activities in Pseudomonas putida CA-3 grown on aromatic carboxylic acids.

Journal: FEMS microbiology letters 20051015

Title: Production of 3-hydroxy-n-phenylalkanoic acids by a genetically engineered strain of Pseudomonas putida.

Journal: Applied microbiology and biotechnology 20050401

Title: Unusual ADP-forming acetyl-coenzyme A synthetases from the mesophilic halophilic euryarchaeon Haloarcula marismortui and from the hyperthermophilic crenarchaeon Pyrobaculum aerophilum.

Journal: Archives of microbiology 20041001

Title: The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases.

Journal: BMC bioinformatics 20040101

Title: Functional genomics by NMR spectroscopy. Phenylacetate catabolism in Escherichia coli.

Journal: European journal of biochemistry 20030701

Title: Aerobic metabolism of phenylacetic acids in Azoarcus evansii.

Journal: Archives of microbiology 20020901

Title: Molecular analysis of aerobic phenylacetate degradation in Azoarcus evansii.

Journal: Molecular genetics and genomics : MGG 20020701

Title: Novel polyketides synthesized with a higher plant stilbene synthase.

Journal: European journal of biochemistry 20010701

Title: The phenylacetyl-CoA catabolon: a complex catabolic unit with broad biotechnological applications.

Journal: Molecular microbiology 20010301

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Tags:7532-39-0 Molecular Formula|7532-39-0 MDL|7532-39-0 SMILES|7532-39-0 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-phenylacetyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid