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ONTOLOGY REPORT - ANNOTATIONS


Term:3-methyladipic acid
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Accession:CHEBI:68503 term browser browse the term
Definition:An alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3.
Synonyms:related_synonym: 3-Methylhexanedioic acid;   Formula=C7H12O4;   InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11);   InChIKey=SYEOWUNSTUDKGM-UHFFFAOYSA-N;   SMILES=CC(CCC(O)=O)CC(O)=O
 xref: CAS:3058-01-3 "ChemIDplus";   HMDB:HMDB0000555;   PMID:22770225 "Europe PMC";   Reaxys:1723870 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:132959;   is_conjugate_acid_of CHEBI:86387


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Term Annotations click to browse term
  CHEBI ontology 19745
    role 19692
      application 19347
        food additive 14583
          food acidity regulator 11493
            adipic acid 5
              3-methyladipic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19745
    subatomic particle 19741
      composite particle 19741
        hadron 19741
          baryon 19741
            nucleon 19741
              atomic nucleus 19741
                atom 19741
                  main group element atom 19625
                    p-block element atom 19625
                      carbon group element atom 19519
                        carbon atom 19513
                          organic molecular entity 19513
                            organic group 18424
                              organic divalent group 18416
                                organodiyl group 18416
                                  carbonyl group 18304
                                    carbonyl compound 18304
                                      dicarboxylic acids and O-substituted derivatives 10207
                                        dicarboxylic acid 10201
                                          alpha,omega-dicarboxylic acid 2746
                                            adipic acid 5
                                              3-methyladipic acid 0
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