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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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  CHEBI ontology 880
    role 860
      biological role 860
        pharmacological role 385
          agonist 284
            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 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      carbon group element atom 828
                        carbon atom 827
                          organic molecular entity 827
                            organic group 392
                              organic divalent group 390
                                organodiyl group 390
                                  carbonyl group 389
                                    carbonyl compound 389
                                      carboxylic acid 267
                                        amino acid 137
                                          non-proteinogenic amino acid 7
                                            beta-amino acid 0
                                              beta-alanine 0
                                                beta-alanine derivative 0
                                                  methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alaninate 0
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