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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-1,3-diene
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Accession:CHEBI:39478 term browser browse the term
Definition:A butadiene with unsaturation at positions 1 and 3.
Synonyms:related_synonym: 1,3-Butadien;   1,3-butadiene;   Buta-1,3-dien;   CH2=CH-CH=CH2;   Formula=C4H6;   InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2;   InChIKey=KAKZBPTYRLMSJV-UHFFFAOYSA-N;   SMILES=C=CC=C;   alpha,gamma-butadiene;   bivinyl;   divinyl;   vinylethylene
 xref: Beilstein:605258;   CAS:106-99-0;   Gmelin:25198;   HMDB:HMDB0041792;   KEGG:C16450
 xref_mesh: MESH:C031763
 xref: PMID:11018742;   PMID:11397424;   PMID:7520987;   PMID:7859343;   PPDB:1636;   Reaxys:605258;   Wikipedia:1\,3-Butadiene



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  • Term paths to the root
    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19823
        role 19773
          biological role 19773
            aetiopathogenetic role 19050
              carcinogenic agent 18381
                buta-1,3-diene 2059
                  1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene 0
                  4-(1-methyleneallyl)-1,5,5-trimethylcyclopentene 0
                  chloroprene 1360
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19823
        subatomic particle 19821
          composite particle 19821
            hadron 19821
              baryon 19821
                nucleon 19821
                  atomic nucleus 19821
                    atom 19821
                      main group element atom 19720
                        main group molecular entity 19720
                          s-block molecular entity 19502
                            hydrogen molecular entity 19495
                              hydrides 18855
                                organic hydride 18361
                                  organic fundamental parent 18361
                                    hydrocarbon 18074
                                      olefin 5474
                                        acyclic olefin 5446
                                          alkadiene 2081
                                            butadiene 2059
                                              buta-1,3-diene 2059
                                                1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene 0
                                                4-(1-methyleneallyl)-1,5,5-trimethylcyclopentene 0
                                                chloroprene 1360
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