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ONTOLOGY REPORT - ANNOTATIONS


Term:mesaconic acid
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Accession:CHEBI:16600 term browser browse the term
Definition:A dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position.
Synonyms:related_synonym: (2E)-2-METHYLBUT-2-ENEDIOIC ACID;   (E)-2-Methyl-2-butenedioic acid;   (E)-Citraconic acid;   2-methylfumaric acid;   Citronic acid;   Formula=C5H6O4;   InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+;   InChIKey=HNEGQIOMVPPMNR-NSCUHMNNSA-N;   Methylfumaric acid;   SMILES=C\\C(=C/C(O)=O)C(O)=O;   trans-1-Propene-1,2-dicarboxylic acid;   trans-2-Methyl-2-butenedioic acid
 alt_id: CHEBI:19701;   CHEBI:43999;   CHEBI:6772
 xref: CAS:498-24-8;   HMDB:HMDB0000749;   KEGG:C01732;   PDBeChem:MEZ;   PMID:16744171;   PMID:6452974;   PMID:6778884;   Reaxys:1722680;   Wikipedia:Mesaconic_acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:36986


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      application 19363
        food additive 14690
          food acidity regulator 11577
            fumaric acid 48
              mesaconic acid 0
                3-methylfumaryl-CoA 0
                mesaconyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic group 18451
                              organic divalent group 18445
                                organodiyl group 18445
                                  carbonyl group 18346
                                    carbonyl compound 18346
                                      dicarboxylic acids and O-substituted derivatives 10249
                                        dicarboxylic acid 10242
                                          C4-dicarboxylic acid 801
                                            butenedioic acid 519
                                              fumaric acid 48
                                                mesaconic acid 0
                                                  3-methylfumaryl-CoA 0
                                                  mesaconyl-CoA 0
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