OGA
N-OXALYLGLYCINE
Created: | 2002-08-12 |
Last modified: | 2011-06-04 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 0 |
Bond Count | 14 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | N-OXALYLGLYCINE |
Systematic Name (OpenEye OEToolkits) | 2-(carboxymethylamino)-2-oxo-ethanoic acid |
Formula | C4 H5 N O5 |
Molecular Weight | 147.086 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(=O)NCC(=O)O |
SMILES | CACTVS | 3.341 | OC(=O)CNC(=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)NC(=O)C(=O)O |
Canonical SMILES | CACTVS | 3.341 | OC(=O)CNC(=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)NC(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10) |
InChIKey | InChI | 1.03 | BIMZLRFONYSTPT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
Pharos | CHEMBL90852 |
PubChem | 3080614 |
ChEMBL | CHEMBL90852 |
ChEBI | CHEBI:44482 |