DSG
D-ASPARAGINE
| Created: | 2004-06-28 |
| Last modified: | 2023-11-03 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 17 |
| Chiral Atom Count | 1 |
| Bond Count | 16 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | D-ASPARAGINE |
| Systematic Name (OpenEye OEToolkits) | (2R)-2,4-diamino-4-oxo-butanoic acid |
| Formula | C4 H8 N2 O3 |
| Molecular Weight | 132.118 |
| Type | D-PEPTIDE LINKING |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CC(N)C(=O)O |
| SMILES | CACTVS | 3.341 | N[CH](CC(N)=O)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)C(=O)N |
| Canonical SMILES | CACTVS | 3.341 | N[C@H](CC(N)=O)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C([C@H](C(=O)O)N)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1 |
| InChIKey | InChI | 1.03 | DCXYFEDJOCDNAF-UWTATZPHSA-N |
Drug Info: DrugBank
| DrugBank ID | DB03943 |
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| Name | D-Asparagine |
| Groups | experimental |
| Description | A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed) |
| Synonyms | D-Asparagine |
| CAS number | 2058-58-4 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 439600, 6991971 |
| ChEMBL | CHEMBL1232369 |
| ChEBI | CHEBI:74337, CHEBI:28159 |
| CCDC/CSD | ILUXOC, HUDJIA, COTZOB, SUYWEP, AYAQID |
| COD | 2227303 |
