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59476-61-8

59476-61-8 | (isoxazolin-5-on-2-yl)alanine

CAS No: 59476-61-8 Catalog No: AG00EZER MDL No:

Product Description

Catalog Number:
AG00EZER
Chemical Name:
(isoxazolin-5-on-2-yl)alanine
CAS Number:
59476-61-8
IUPAC Name:
(2S)-2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid
InChI:
InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)/t4-/m0/s1
InChI Key:
BDHFFHBFJUZSBF-BYPYZUCNSA-N

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
172.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.14g/mol
Monoisotopic Mass:
172.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1  

Literature

Title Journal
Effect of environmental factors on the biosynthesis of the neuro-excitatory amino acid β-ODAP (β-N-oxalyl-L-α,β-diaminopropionic acid) in callus tissue of Lathyrus sativus. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20110301
Amino acids in seeds and seedlings of the genus Lens. Phytochemistry 20010901
Nonprotein amino acids in edible lentil and garden pea seedlings. Amino acids 20010101
Enzymatic synthesis of two isoxazolylalanine isomers by cysteine synthases in Lathyrus species. Biological & pharmaceutical bulletin 19960901
Biosynthesis of beta-(isoxazolin-5-on-2-yl)alanine, the precursor of the neurotoxic amino acid beta-N-oxalyl-L-alpha,beta-diaminopropionic acid. Chemical & pharmaceutical bulletin 19911201

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