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114-76-1 | Benzenepropanoic acid, α-oxo-, sodium salt (1:1)
CAS No: 114-76-1 Catalog No: AG000AA5 MDL No:MFCD00002590
Product Description
Catalog Number:
AG000AA5
Chemical Name:
Benzenepropanoic acid, α-oxo-, sodium salt (1:1)
CAS Number:
114-76-1
Molecular Formula:
C9H7NaO3
Molecular Weight:
186.1398
MDL Number:
MFCD00002590
IUPAC Name:
sodium;2-oxo-3-phenylpropanoate
InChI:
InChI=1S/C9H8O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);/q;+1/p-1
InChI Key:
MQGYVGKMCRDEAF-UHFFFAOYSA-M
SMILES:
O=C(C(=O)[O-])Cc1ccccc1.[Na+]
EC Number:
204-053-2
UNII:
7528CW33WW
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.142g/mol
Monoisotopic Mass:
186.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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|---|---|
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| Novel potential markers of nasopharyngeal carcinoma for diagnosis and therapy. | Clinical biochemistry 20110601 |
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| Purification and partial characterization of Lactobacillus species SK007 lactate dehydrogenase (LDH) catalyzing phenylpyruvic acid (PPA) conversion into phenyllactic acid (PLA). | Journal of agricultural and food chemistry 20080409 |
| Mechanism of benzaldehyde lyase studied via thiamin diphosphate-bound intermediates and kinetic isotope effects. | Biochemistry 20080325 |
| Crystal structure of VioE, a key player in the construction of the molecular skeleton of violacein. | The Journal of biological chemistry 20080307 |
| Organic acid concentrations in amniotic fluid found in normal and Down syndrome pregnancies. | Fetal diagnosis and therapy 20080201 |
| Near-ultraviolet photolysis of beta-phenylpyruvic acid generates free radicals and results in DNA damage. | Journal of photochemistry and photobiology. B, Biology 20071214 |
| Phenylpyruvate tautomerase activity of trans-3-chloroacrylic acid dehalogenase: evidence for an enol intermediate in the dehalogenase reaction? | Biochemistry 20070821 |
| Nucleophile selectivity of chorismate-utilizing enzymes. | Chembiochem : a European journal of chemical biology 20070416 |
| Biotransformation of phenylpyruvic acid to phenyllactic acid by growing and resting cells of a Lactobacillus sp. | Biotechnology letters 20070401 |
| Characterization and application of D-amino acid oxidase and catalase within permeabilized Pichia pastoris cells in bioconversions. | Applied biochemistry and biotechnology 20070301 |
| Iron-catalyzed C2-C3 bond cleavage of phenylpyruvate with O2: insight into aliphatic C-C bond-cleaving dioxygenases. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Chemical conversion of alpha-amino acids into alpha-keto acids by 4,5-epoxy-2-decenal. | Journal of agricultural and food chemistry 20060809 |
| Engineered phenylalanine dehydrogenase in organic solvents: homogeneous and biphasic enzymatic reactions. | Organic & biomolecular chemistry 20051221 |
| Plant-derived anti-inflammatory compounds affect MIF tautomerase activity. | International immunopharmacology 20050501 |
| A molecularly imprinted polymer-based synthetic transaminase. | Journal of the American Chemical Society 20040714 |
| Estrogen-inducible uterine flavonoid binding sites: is it time to reconsider? | The Journal of steroid biochemistry and molecular biology 20040401 |
| Beta-phenylpyruvate and glucose uptake in isolated mouse soleus muscle and cultured C2C12 muscle cells. | Journal of cellular biochemistry 20031201 |
| Glutamine:phenylpyruvate aminotransferase from an extremely thermophilic bacterium, Thermus thermophilus HB8. | Journal of biochemistry 20031201 |
| Effects of phenylalanine and phenylpyruvate on ATP-ADP hydrolysis by rat blood serum. | Amino acids 20030601 |
| Characterization of the inhibition of pyruvate kinase caused by phenylalanine and phenylpyruvate in rat brain cortex. | Brain research 20030411 |
| Glucose-lowering effect of beta-phenylpyruvate in neonatal mice: a possible mechanism for phenylketonuria-related neurodegenerative changes. | Brain research. Developmental brain research 20030314 |
| Asbjørn Følling and the discovery of phenylketonuria. | Journal of the history of the neurosciences 20030301 |
| (4-Hydroxyphenyl)pyruvate dioxygenase from Streptomyces avermitilis: the basis for ordered substrate addition. | Biochemistry 20030225 |
| [Characterization of phenylpyruvic acid and beta-benzyl phenylpyruvic acid by UV, IR, MS, and 1H NMR]. | Guang pu xue yu guang pu fen xi = Guang pu 20030201 |
| p-Sulfooxyphenylpyruvic acid from the red macro alga Ceratodictyon spongiosum and its sponge symbiont Haliclona cymaeformis. | Phytochemistry 20020601 |
| Aromatic amino acid biosynthesis and production of related compounds from p-hydroxyphenylpyruvic acid by rumen bacteria, protozoa and their mixture. | Amino acids 20020101 |
| Phenylalanine and phenylpyruvate inhibit ATP diphosphohydrolase from rat brain cortex. | International journal of developmental neuroscience : the official journal of the International Society for Developmental Neuroscience 20011101 |
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