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Home > Imidazoles > 96837-50-2
96837-50-2 | 4H-Imidazol-4-one, 1,5-dihydro-5-methylene-
CAS No: 96837-50-2 Catalog No: AG006663 MDL No:
Product Description
Catalog Number:
AG006663
Chemical Name:
4H-Imidazol-4-one, 1,5-dihydro-5-methylene-
CAS Number:
96837-50-2
Molecular Formula:
C4H4N2O
Molecular Weight:
96.0874
IUPAC Name:
4-methylidene-1H-imidazol-5-one
InChI:
InChI=1S/C4H4N2O/c1-3-4(7)6-2-5-3/h2H,1H2,(H,5,6,7)
InChI Key:
FVEPUQVTLVLBMB-UHFFFAOYSA-N
SMILES:
C=C1NC=NC1=O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
96.089g/mol
Monoisotopic Mass:
96.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
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|---|---|
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| Insights into the mechanistic pathway of the Pantoea agglomerans phenylalanine aminomutase. | Angewandte Chemie (International ed. in English) 20120319 |
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| Mechanistic, mutational, and structural evaluation of a Taxus phenylalanine aminomutase. | Biochemistry 20110412 |
| Ammonia lyases and aminomutases as biocatalysts for the synthesis of α-amino and β-amino acids. | Current opinion in chemical biology 20110401 |
| Structure and chemistry of 4-methylideneimidazole-5-one containing enzymes. | Current opinion in chemical biology 20091001 |
| Enzymatic synthesis of enantiopure alpha- and beta-amino acids by phenylalanine aminomutase-catalysed amination of cinnamic acid derivatives. | Chembiochem : a European journal of chemical biology 20090126 |
| A single residue influences the reaction mechanism of ammonia lyases and mutases. | Angewandte Chemie (International ed. in English) 20090101 |
| Structural and biochemical characterization of the therapeutic Anabaena variabilis phenylalanine ammonia lyase. | Journal of molecular biology 20080718 |
| Design and characterization of mechanism-based inhibitors for the tyrosine aminomutase SgTAM. | Bioorganic & medicinal chemistry letters 20080515 |
| Contributions of conserved serine and tyrosine residues to catalysis, ligand binding, and cofactor processing in the active site of tyrosine ammonia lyase. | Phytochemistry 20080501 |
| The mechanism of MIO-based aminomutases in beta-amino acid biosynthesis. | Journal of the American Chemical Society 20071226 |
| Friedel-Crafts-type mechanism for the enzymatic elimination of ammonia from histidine and phenylalanine. | Angewandte Chemie (International ed. in English) 20050613 |
| Understanding GFP chromophore biosynthesis: controlling backbone cyclization and modifying post-translational chemistry. | Biochemistry 20050215 |
| Structural basis for the entrance into the phenylpropanoid metabolism catalyzed by phenylalanine ammonia-lyase. | The Plant cell 20041201 |
| Crystal structure of phenylalanine ammonia lyase: multiple helix dipoles implicated in catalysis. | Biochemistry 20040914 |
| Kinetic analysis of the reactions catalyzed by histidine and phenylalanine ammonia lyases. | Chemistry & biodiversity 20040201 |
| Kinetic analysis of the 4-methylideneimidazole-5-one-containing tyrosine aminomutase in enediyne antitumor antibiotic C-1027 biosynthesis. | Biochemistry 20031104 |
| A novel 4-methylideneimidazole-5-one-containing tyrosine aminomutase in enediyne antitumor antibiotic C-1027 biosynthesis. | Journal of the American Chemical Society 20030521 |
| Structures of two histidine ammonia-lyase modifications and implications for the catalytic mechanism. | European journal of biochemistry 20020301 |
| Autocatalytic peptide cyclization during chain folding of histidine ammonia-lyase. | Structure (London, England : 1993) 20020101 |
| Characterization of the active site of histidine ammonia-lyase from Pseudomonas putida. | European journal of biochemistry 20011201 |
| Methylidene-imidazolone: a novel electrophile for substrate activation. | Current opinion in chemical biology 20011001 |
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