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Gamma-Aminobutyrlc acid
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 :
- Agaricus campestris - قارچ چمنزار
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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