Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 45
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
gamma-Aminobutyrate
ScientificNameLabel
gamma-Aminobutyrate
PHCD compound ID :
4703
Chemical Names :
gamma-Aminobutyrate
Molecular Formula :
C4H8N1O2
Molecular Weight :
102.055503
More Details :
Names & Synonyms:
4-aminobutanoate , 4-azanylbutanoate , 4-aminobutyrate
Smiles:
NCCCC(=O)[O-]
InChi :
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1
InChi Key :
InChIKey=BTCSSZJGUNDROE-UHFFFAOYSA-M
PubChem ID :
5460232
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
4.411867
Hydrogen bond donor count :
1
Electric dipole moment :
8.454
XLogP :
-1.149
VDW volume :
102.362923
Molecular weight :
102.055503
HOMO-LUMO gap :
10.936000
Herb list :
Alfalfa, Lucerne - Medicago sativa - یونجه
Refrences & Litretures:
747. Journal:'Plant Physiol' Year:'1991' Volume:'96' Page:'1228' DOI:'' Title:'Effects of Salt Stress on Amino Acid, Organic Acid, and Carbohydrate Composition of Roots, Bacteroids, and Cytosol of Alfalfa (Medicago sativa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us