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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)-5-isopropyl-2-methylhexa-2,5-dienal
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Accession:CHEBI:27049 term browser browse the term
Definition:A hexadienal that is hexa-2,5-dienal substituted by a an isopropyl group at position 5 and a methy group at position 2 (the 2E-stereoisomer).
Synonyms:related_synonym: Formula=C10H16O;   InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5+;   InChIKey=KDMDLRXLBMMBSU-WEVVVXLNSA-N;   SMILES=CC(C)C(=C)C\\C=C(/C)C=O;   trans-2-Methyl-5-isopropylhexa-2,5-dienal
 alt_id: CHEBI:29740
 xref: CAS:112077-94-8;   KEGG:C11942;   Reaxys:13191996


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21720
    chemical entity 21718
      atom 21705
        nonmetal atom 21599
          carbon atom 21326
            organic molecular entity 21326
              olefinic compound 15398
                enal 2938
                  hexadienal 3
                    (2E)-5-isopropyl-2-methylhexa-2,5-dienal 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21720
    subatomic particle 21705
      composite particle 21705
        hadron 21705
          baryon 21705
            nucleon 21705
              atomic nucleus 21705
                atom 21705
                  main group element atom 21622
                    p-block element atom 21622
                      carbon group element atom 21427
                        carbon atom 21326
                          organic molecular entity 21326
                            organic group 19886
                              organic divalent group 19876
                                organodiyl group 19876
                                  carbonyl group 19859
                                    carbonyl compound 19859
                                      carboxylic acid 19157
                                        carboacyl group 17991
                                          univalent carboacyl group 17991
                                            formyl group 8914
                                              aldehyde 8914
                                                alpha,beta-unsaturated aldehyde 2938
                                                  enal 2938
                                                    hexadienal 3
                                                      (2E)-5-isopropyl-2-methylhexa-2,5-dienal 0
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