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ScientificNameLabel
Kynurenine
PHCD compound ID : 5047
Chemical Names :
Kynurenine
Molecular Formula : C10H12N2O3
Molecular Weight : 208.084792
More Details :
Names & Synonyms: 2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid , 2-amino-4-(2-aminophenyl)-4-oxobutanoic acid , 4-(2-aminophenyl)-2-azanyl-4-oxidanylidene-butanoic acid , 2-amino-4-(2-aminophenyl)-4-keto-butyric acid
Smiles: OC(=O)[C@H](CC(=O)c1ccccc1N)N
InChi : InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChi Key : InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N
PubChem ID : 846
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.672561
Hydrogen bond donor count : 3 Electric dipole moment : 1.337
XLogP : -2.868 VDW volume : 193.441753
Molecular weight : 208.084792 HOMO-LUMO gap : 8.193000
Herb list :
Refrences & Litretures:
  
785.      Journal:'J. Agric. Food Chem'      Year:'1967'      Volume:'15'      Page:'1040'      DOI:'10.1021/jf60154a024'      Title:'Mushroom ninhydrin-positive compounds. Amino acids, related compounds, and other nitrogenous substances found in cultivated mushroom, Agaricus campestris'
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