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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alanine
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Accession:CHEBI:156205 term browser browse the term
Definition: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.
Synonyms:exact_synonym: 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_synonym: DB-28;   DB28;   Formula=C8H9N3O5;   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;   N-[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)carbonyl]-beta-alanine;   SMILES=C1(NC(C=C(N1)C(NCCC(=O)O)=O)=O)=O
 xref: PDBeChem:P1J;   PMID:32341160


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Term Annotations click to browse term
  CHEBI ontology 19841
    role 19792
      biological role 19792
        pharmacological role 18847
          agonist 18237
            MAIT cell agonist 0
              N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alanine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18113
                                        amino acid 14108
                                          non-proteinogenic amino acid 1782
                                            beta-amino acid 186
                                              beta-alanine 55
                                                beta-alanine derivative 55
                                                  N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alanine 0
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