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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:isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
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Accession:CHEBI:87776 term browser browse the term
Definition:A member of the class of pyridines that is pyridine substituted by a (2-methylpropoxy)carbonyl and a (2-phenylethoxy)carbonyl group at positions 2 and 6 respectively.
Synonyms:exact_synonym: 2-methylpropyl 2-phenylethyl pyridine-2,6-dicarboxylate
 related_synonym: Formula=C19H21NO4;   InChI=1S/C19H21NO4/c1-14(2)13-24-19(22)17-10-6-9-16(20-17)18(21)23-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3;   InChIKey=TZKVLZPGKZHHNX-UHFFFAOYSA-N;   SMILES=C1=CC=CC(=C1)CCOC(C2=NC(C(OCC(C)C)=O)=CC=C2)=O


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Term Annotations click to browse term
  CHEBI ontology 22308
    role 22292
      biological role 22291
        biochemical role 21508
          metabolite 21457
            isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22308
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22183
                    p-block element atom 22183
                      carbon group element atom 21985
                        carbon atom 21924
                          organic molecular entity 21924
                            heteroorganic entity 21563
                              organochalcogen compound 21057
                                organooxygen compound 20905
                                  carbonyl compound 20225
                                    dicarboxylic acids and O-substituted derivatives 11457
                                      isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate 0
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