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CHEBI:77029 - 3-(5-oxoisoxazolin-2-yl)-L-alanine
| Formula | C6H8N2O4 |
| Net Charge | 0 |
| Average Mass | 172.140 |
| Monoisotopic Mass | 172.04841 |
| SMILES | N[C@@H](Cn1ccc(=O)o1)C(=O)O |
| InChI | InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)/t4-/m0/s1 |
| InChIKey | BDHFFHBFJUZSBF-BYPYZUCNSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) has role plant metabolite (CHEBI:76924) |
| 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is a L-alanine derivative (CHEBI:83943) |
| 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is a isoxazoles (CHEBI:55373) |
| 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is a non-proteinogenic L-α-amino acid (CHEBI:83822) |
| 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is tautomer of 3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion (CHEBI:76855) |
| Incoming Relation(s) |
| 3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion (CHEBI:76855) is tautomer of 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) |
| IUPAC Name |
|---|
| 3-(5-oxo-1,2-oxazol-2(5H)-yl)-L-alanine |
| Synonyms | Source |
|---|---|
| alpha-Amino-5-oxo-(S)-2(5H)-Isoxazolepropanoic acid | HMDB |
| beta-(Isoxazolin-5-on-2-yl)alanine | ChemIDplus |
| BIOYA | ChemIDplus |
| (Isoxazolin-5-on-2-yl)alanine | ChemIDplus |
| (S)-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid | ChemIDplus |
| β-(isoxazolin-5-on-2-yl)-L-alanine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034322 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4248613 | Reaxys |
| CAS:59476-61-8 | ChemIDplus |
| Citations |
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