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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:buta-1,2-diene
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Accession:CHEBI:39480 term browser browse the term
Definition:A butadiene that has formula C4H6.
Synonyms:related_synonym: 1,2-Butadien;   1,2-butadiene;   1-methylallene;   Buta-1,2-dien;   CH2=C=CH-CH3;   Formula=C4H6;   InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3;   InChIKey=QNRMTGGDHLBXQZ-UHFFFAOYSA-N;   SMILES=CC=C=C;   methylallene
 xref: Beilstein:1730808;   CAS:590-19-2;   Gmelin:1144


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  CHEBI ontology 19853
    chemical entity 19853
      atom 19851
        nonmetal atom 19733
          carbon atom 19639
            organic molecular entity 19639
              olefinic compound 14830
                allenes 28
                  buta-1,2-diene 0
Path 2
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  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    main group molecular entity 19744
                      s-block molecular entity 19491
                        hydrogen molecular entity 19483
                          hydrides 18748
                            organic hydride 18302
                              organic fundamental parent 18302
                                hydrocarbon 18030
                                  olefin 7200
                                    acyclic olefin 7180
                                      alkadiene 2075
                                        butadiene 2053
                                          buta-1,2-diene 0
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