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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:methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alaninate
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Accession:CHEBI:156206 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 methyl beta-alaninate. One of a series of mucosal-associated invariant T (MAIT) cell agonists.
Synonyms:exact_synonym: methyl 3-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)amino]propanoate;   methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
 related_synonym: Formula=C9H11N3O5;   InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16);   InChIKey=OQKCUQQTEDLJJP-UHFFFAOYSA-N;   N-[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)carbonyl]-beta-alanine, methyl ester;   NV-18-1;   NV18.1;   SMILES=C1(NC(C=C(N1)C(NCCC(=O)OC)=O)=O)=O
 xref: PDBeChem:N18;   PMID:32341160


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Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        pharmacological role 18870
          agonist 18254
            MAIT cell agonist 0
              methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alaninate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      carboxylic acid 18142
                                        amino acid 14119
                                          non-proteinogenic amino acid 1800
                                            beta-amino acid 186
                                              beta-alanine 55
                                                beta-alanine derivative 55
                                                  methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alaninate 0
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