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CHEBI:156205 - N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alanine

ChEBI IDCHEBI:156205
ChEBI NameN-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alanine
Stars
ASCII NameN-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alanine
DefinitionA β-alanine derivative obtained by formal condensation of the carboxy group of orotic acid with the amino group of β-alanine. One of a series of mucosal-associated invariant T (MAIT) cell agonists.
Last Modified17 July 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H9N3O5
Net Charge0
Average Mass227.176
Monoisotopic Mass227.05422
SMILESO=C(O)CCNC(=O)c1cc(=O)nc(=O)n1
InChIInChI=1S/C8H9N3O5/c12-5-3-4(10-8(16)11-5)7(15)9-2-1-6(13)14/h3H,1-2H2,(H,9,15)(H,13,14)(H2,10,11,12,16)
InChIKeyHLVBXSGXJVQJGW-UHFFFAOYSA-N
Roles Classification
Biological Role:
MAIT cell agonist  An agonist that selectively binds to and activates mucosal associated invariant T cells (MAIT cells).
ChEBI Ontology
Outgoing Relation(s)
N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alanine (CHEBI:156205) has functional parent orotic acid (CHEBI:16742)
N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alanine (CHEBI:156205) has role MAIT cell agonist (CHEBI:156211)
N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alanine (CHEBI:156205) is a β-alanine derivative (CHEBI:22823)
IUPAC Names 
N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-β-alanine
3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]amino}propanoic acid
Synonyms  Source
N-[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)carbonyl]-β-alanineChEBI
DB-28ChEBI
DB28ChEBI
Manual XrefsDatabases
P1JPDBeChem
Citations