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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:octane
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Accession:CHEBI:17590 term browser browse the term
Definition:A straight chain alkane composed of 8 carbon atoms.
Synonyms:related_synonym: CH3-[CH2]6-CH3;   Formula=C8H18;   InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3;   InChIKey=TVMXDCGIABBOFY-UHFFFAOYSA-N;   Oktan;   SMILES=CCCCCCCC;   n-Octane;   n-Oktan
 alt_id: CHEBI:14680;   CHEBI:25465;   CHEBI:25645;   CHEBI:44621;   CHEBI:7723
 xref: Beilstein:1696875;   CAS:111-65-9;   DrugBank:DB02440;   Gmelin:82412;   HMDB:HMDB0001485;   KEGG:C01387;   LIPID_MAPS_instance:LMFA11000002;   MetaCyc:CPD-148;   PDBeChem:OCT;   PMID:11255151;   PMID:24354334;   Reaxys:1696875;   UM-BBD_compID:c0044;   Wikipedia:Octane


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        xenobiotic 18381
          octane 2167
            1,2:7,8-diepoxyoctane 0
            1,8-diaminooctane + 2
            1,8-dichloro-perfluorooctane 0
            2-butyl-1-octanol + 0
            3,5-dimethyloctane 0
            3-octanone 0
            8-(methylsulfinyl)octyl isothiocyanate 0
            8-(methylthio)octylisothiocyanate 0
            octanediol + 0
            octanol + 6
            octyl group 0
            perflubron 9
            perfluorooctane + 2160
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            organic hydride 18249
                              organic fundamental parent 18249
                                hydrocarbon 17969
                                  alkane 13684
                                    octane 2167
                                      1,2:7,8-diepoxyoctane 0
                                      1,8-diaminooctane + 2
                                      1,8-dichloro-perfluorooctane 0
                                      2-butyl-1-octanol + 0
                                      3,5-dimethyloctane 0
                                      3-octanone 0
                                      8-(methylsulfinyl)octyl isothiocyanate 0
                                      8-(methylthio)octylisothiocyanate 0
                                      octanediol + 0
                                      octanol + 6
                                      octyl group 0
                                      perflubron 9
                                      perfluorooctane + 2160
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