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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 885
    chemical entity 885
      atom 870
        nonmetal atom 850
          carbon atom 832
            organic molecular entity 832
              olefinic compound 354
                enal 1
                  hexadienal 0
                    (2E)-5-isopropyl-2-methylhexa-2,5-dienal 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 885
    subatomic particle 870
      composite particle 870
        hadron 870
          baryon 870
            nucleon 870
              atomic nucleus 870
                atom 870
                  main group element atom 860
                    p-block element atom 857
                      carbon group element atom 833
                        carbon atom 832
                          organic molecular entity 832
                            organic group 392
                              organic divalent group 390
                                organodiyl group 390
                                  carbonyl group 389
                                    carbonyl compound 389
                                      carboxylic acid 267
                                        carboacyl group 166
                                          univalent carboacyl group 166
                                            formyl group 15
                                              aldehyde 15
                                                alpha,beta-unsaturated aldehyde 1
                                                  enal 1
                                                    hexadienal 0
                                                      (2E)-5-isopropyl-2-methylhexa-2,5-dienal 0
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