Molecular Details
DICL_CP_0307970
- (2S,3S)-2-amino-3-hydroxybutanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307970
PubChem CID
Molecular Formula
C4H7NO5 Molecular Weight
149.102 g/mol
Synonyms/Alias
[DL-threo-beta-Hydroxyaspartic acid; 7298-99-9; 4294-45-5; L-(-)-threo-3-Hydroxyaspartic acid; (2S;3S)-2-amino-3-hydroxybutanedioic acid; (3S)-3-hydroxy-L-aspartic acid; L-threo-beta-Hydroxyaspartic a...
InChI Key
YYLQUHNPNCGKJQ-LWMBPPNESA-N
InChI
InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1
IUPAC Name
(2S,3S)-2-amino-3-hydroxybutanedioic acid
CAS Number
7298-99-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 16 0 0 0 0 0 0 0 0999 V2000
-0.4115 -0.6475 0.4155 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7938 -0.3589 -0.5112 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6264 0.788...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 3
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
COS-1 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
3
logP
-2.1562
Complexity
29.2538
TPSA (Ų)
120.85
H-Bond Donors
4
H-Bond Acceptors
4
Ring Count
0