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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 21569
    role 21548
      biological role 21546
        pharmacological role 19364
          agonist 18643
            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 21569
    subatomic particle 21555
      composite particle 21555
        hadron 21555
          baryon 21555
            nucleon 21555
              atomic nucleus 21555
                atom 21555
                  main group element atom 21461
                    p-block element atom 21461
                      carbon group element atom 21254
                        carbon atom 21151
                          organic molecular entity 21151
                            organic group 19587
                              organic divalent group 19577
                                organodiyl group 19577
                                  carbonyl group 19558
                                    carbonyl compound 19558
                                      carboxylic acid 19129
                                        amino acid 14616
                                          non-proteinogenic amino acid 1836
                                            beta-amino acid 194
                                              beta-alanine 57
                                                beta-alanine derivative 57
                                                  methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alaninate 0
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