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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:(2E)-3-methylhex-2-enoic acid
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Accession:CHEBI:144845 term browser browse the term
Definition:A monounsaturated fatty acid that is (2E)-hexenoic acid in which the hydrogen at position 3 has been replaced by a methyl group. A malodourous component in the sweat of schizophrenics.
Synonyms:related_synonym: Formula=C7H12O2;   InChI=1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+;   InChIKey=NTWSIWWJPQHFTO-AATRIKPKSA-N;   SMILES=CCC/C(=C/C(O)=O)/C;   trans-3-methyl-2-hexenoic acid
 xref: CAS:27960-21-0;   MetaCyc:CPD-21073;   PMID:12468539;   PMID:17156856;   PMID:17193210;   PMID:4686114;   PMID:4715330;   PMID:5062104;   PMID:5493894;   PMID:5818039;   Patent:WO1993007853;   Wikipedia:Trans-3-Methyl-2-hexenoic_acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:143558


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      biological role 25929
        biochemical role 25162
          metabolite 25092
            (2E)-hexenoic acid 0
              (2E)-3-methylhex-2-enoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbon oxoacid 22749
                                    carboxylic acid 22729
                                      monocarboxylic acid 21724
                                        fatty acid 18997
                                          unsaturated fatty acid 1111
                                            monounsaturated fatty acid 603
                                              hexenoic acid 115
                                                2-hexenoic acid 0
                                                  (2E)-hexenoic acid 0
                                                    (2E)-3-methylhex-2-enoic acid 0
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