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1264-45-5
Catalog No.:AA000SO3

1264-45-5 | Coenzyme A, S-(hydrogen 2-methylpropanedioate)

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000SO3
Chemical Name:
Coenzyme A, S-(hydrogen 2-methylpropanedioate)
CAS Number:
1264-45-5
Molecular Formula:
C25H40N7O19P3S
Molecular Weight:
867.6069
SMILES:
O=C(NCCSC(=O)C(C(=O)O)C)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:
55  
Hydrogen Bond Acceptor Count:
24  
Hydrogen Bond Donor Count:
10  
Rotatable Bond Count:
22  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-5.4  

Literature

Title: LC-MS/MS quantification of short-chain acyl-CoA's in Escherichia coli demonstrates versatile propionyl-CoA synthetase substrate specificity.

Journal: Letters in applied microbiology 20120201

Title: Ethylmalonyl-CoA decarboxylase, a new enzyme involved in metabolite proofreading.

Journal: The Journal of biological chemistry 20111216

Title: Enhanced production of ansamitocin P-3 by addition of Mg2+ in fermentation of Actinosynnema pretiosum.

Journal: Bioresource technology 20111101

Title: A combined approach of classical mutagenesis and rational metabolic engineering improves rapamycin biosynthesis and provides insights into methylmalonyl-CoA precursor supply pathway in Streptomyces hygroscopicus ATCC 29253.

Journal: Applied microbiology and biotechnology 20110901

Title: Biochemical characteristization of propionyl-coenzyme a carboxylase complex of Streptomyces toxytricini.

Journal: Journal of microbiology (Seoul, Korea) 20110601

Title: Genetic disorders of vitamin B₁₂ metabolism: eight complementation groups--eight genes.

Journal: Expert reviews in molecular medicine 20101101

Title: Investigating the role of native propionyl-CoA and methylmalonyl-CoA metabolism on heterologous polyketide production in Escherichia coli.

Journal: Biotechnology and bioengineering 20100215

Title: Enhanced FK506 production in Streptomyces clavuligerus CKD1119 by engineering the supply of methylmalonyl-CoA precursor.

Journal: Journal of industrial microbiology & biotechnology 20091201

Title: The changing patterns of covalent active site occupancy during catalysis on a modular polyketide synthase multienzyme revealed by ion-trap mass spectrometry.

Journal: The FEBS journal 20091201

Title: DFT and ONIOM(DFT:MM) studies on Co-C bond cleavage and hydrogen transfer in B12-dependent methylmalonyl-CoA mutase. Stepwise or concerted mechanism?

Journal: Journal of the American Chemical Society 20090415

Title: Metabolite profiling uncovers plasmid-induced cobalt limitation under methylotrophic growth conditions.

Journal: PloS one 20090101

Title: CE assay of methylmalonyl-coenzyme-a mutase activity.

Journal: Electrophoresis 20070601

Title: Metabolic engineering of Pseudomonas putida for methylmalonyl-CoA biosynthesis to enable complex heterologous secondary metabolite formation.

Journal: Chemistry & biology 20061201

Title: Quantitative analysis of mitochondrial protein expression in methylmalonic acidemia by two-dimensional difference gel electrophoresis.

Journal: Journal of proteome research 20060701

Title: Metabolic pathway engineering for complex polyketide biosynthesis in Saccharomyces cerevisiae.

Journal: FEMS yeast research 20060101

Title: Characterization of four variant forms of human propionyl-CoA carboxylase expressed in Escherichia coli.

Journal: The Journal of biological chemistry 20050729

Title: Dissecting the mechanism and assembly of a complex virulence mycobacterial lipid.

Journal: Molecular cell 20050304

Title: Transcarboxylase: one of nature's early nanomachines.

Journal: IUBMB life 20041001

Title: Determination of the binding specificity of the 12S subunit of the transcarboxylase by saturation transfer difference NMR.

Journal: Organic & biomolecular chemistry 20040621

Title: Biosynthesis of the angiogenesis inhibitor borrelidin by Streptomyces parvulus Tü4055: insights into nitrile formation.

Journal: Molecular microbiology 20040601

Title: 6-Deoxyerythronolide B analogue production in Escherichia coli through metabolic pathway engineering.

Journal: Biochemistry 20031209

Title: Biochemical function of msl5 (pks8 plus pks17) in Mycobacterium tuberculosis H37Rv: biosynthesis of monomethyl branched unsaturated fatty acids.

Journal: Journal of bacteriology 20030801

Title: Metabolic engineering of Escherichia coli for improved 6-deoxyerythronolide B production.

Journal: Journal of industrial microbiology & biotechnology 20030801

Title: Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core.

Journal: The EMBO journal 20030515

Title: Enzymatic formation of unnatural novel polyketides from alternate starter and nonphysiological extension substrate by chalcone synthase.

Journal: Organic letters 20030417

Title: Characterization of acetyl-CoA/propionyl-CoA carboxylase in Metallosphaera sedula. Carboxylating enzyme in the 3-hydroxypropionate cycle for autotrophic carbon fixation.

Journal: European journal of biochemistry 20030201

Title: HPLC assay for methylmalonyl-CoA epimerase.

Journal: Analytical and bioanalytical chemistry 20030201

Title: Quantitative analysis of loading and extender acyltransferases of modular polyketide synthases.

Journal: Biochemistry 20030114

Title: Substrate binding induces a cooperative conformational change in the 12S subunit of transcarboxylase: Raman crystallographic evidence.

Journal: Biochemistry 20020903

Title: Assay of the concentration and (13)C isotopic enrichment of propionyl-CoA, methylmalonyl-CoA, and succinyl-CoA by gas chromatography-mass spectrometry.

Journal: Analytical biochemistry 20020601

Title: Energetics and kinetics of lactate fermentation to acetate and propionate via methylmalonyl-CoA or acrylyl-CoA.

Journal: FEMS microbiology letters 20020521

Title: Genetic approaches for controlling ratios of related polyketide products in fermentation processes.

Journal: Journal of industrial microbiology & biotechnology 20011201

Title: Biosynthesis of complex polyketides in a metabolically engineered strain of E. coli.

Journal: Science (New York, N.Y.) 20010302

Title: Microbiology. Possible new route to polyketide synthesis.

Journal: Science (New York, N.Y.) 20010302

Title: Crystallization and preliminary X-ray analysis of the 12S central subunit of transcarboxylase from Propionibacterium shermanii.

Journal: Acta crystallographica. Section D, Biological crystallography 20010201

Title: Precursor supply for polyketide biosynthesis: the role of crotonyl-CoA reductase.

Journal: Metabolic engineering 20010101

Title: Enhancing the atom economy of polyketide biosynthetic processes through metabolic engineering.

Journal: Biotechnology progress 20010101

Title: Purification and partial characterization of 3-hydroxyisobutyryl-coenzyme A hydrolase of rat liver.

Journal: The Journal of biological chemistry 19940513

Title: The absolute configuration of methylmalonyl coenzyme A and stereochemistry of the methymalonyl coenzyme A mutase reaction.

Journal: The Journal of biological chemistry 19660225

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Tags:1264-45-5 Molecular Formula|1264-45-5 MDL|1264-45-5 SMILES|1264-45-5 Coenzyme A, S-(hydrogen 2-methylpropanedioate)