OntologieschebiclassesCHEBI:156205   
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N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alanine
http://purl.obolibrary.org/obo/CHEBI_156205

A beta-alanine derivative obtained by formal condensation of the carboxy group of orotic acid with the amino group of beta-alanine. One of a series of mucosal-associated invariant T (MAIT) cell agonists.

Also appears inslm
Exact Synonyms
3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]amino}propanoic acid
N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine
Related Synonyms
DB-28
DB28
N-[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)carbonyl]-beta-alanine
class Information
charge

0

formula

C8H9N3O5

has_obo_namespace

chebi_ontology

inchi

InChI=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)

inchikey

HLVBXSGXJVQJGW-UHFFFAOYSA-N

in_subset

3_STAR

mass

227.176

monoisotopicmass

227.05422

smiles

C1(NC(C=C(N1)C(NCCC(=O)O)=O)=O)=O

class Relations