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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 19816
    role 19764
      biological role 19764
        aetiopathogenetic role 18960
          carcinogenic agent 18331
            buta-1,3-diene 2052
              1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene 0
              4-(1-methyleneallyl)-1,5,5-trimethylcyclopentene 0
              chloroprene 1354
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            organic hydride 18269
                              organic fundamental parent 18269
                                hydrocarbon 17988
                                  olefin 7187
                                    acyclic olefin 7167
                                      alkadiene 2074
                                        butadiene 2052
                                          buta-1,3-diene 2052
                                            1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene 0
                                            4-(1-methyleneallyl)-1,5,5-trimethylcyclopentene 0
                                            chloroprene 1354
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