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ScientificNameLabel
Gamma-Aminobutyrlc acid
PHCD compound ID : 5042
Chemical Names :
Gamma-Aminobutyrlc acid
Molecular Formula : C4H9N1O2
Molecular Weight : 103.063329
More Details :
Names & Synonyms: 4-aminobutanoic acid , 4-azanylbutanoic acid , 4-aminobutyric acid
Smiles: NCCCC(=O)O
InChi : InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChi Key : InChIKey=BTCSSZJGUNDROE-UHFFFAOYSA-N
PubChem ID : 119
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.707780
Hydrogen bond donor count : 2 Electric dipole moment : 1.055
XLogP : -0.668 VDW volume : 103.681152
Molecular weight : 103.063329 HOMO-LUMO gap : 10.516000
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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