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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: 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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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19880
        role 19850
          biological role 19848
            xenobiotic 18728
              octane 4856
                1,2:7,8-diepoxyoctane 0
                1,8-diaminooctane + 5
                1,8-dichloro-perfluorooctane 0
                2-butyl-1-octanol + 0
                3,5-dimethyloctane 0
                3-octanone 0
                4-sulfanyloctan-1-ol 0
                8-(methylsulfinyl)octyl isothiocyanate 0
                8-(methylthio)octylisothiocyanate 0
                octanediol + 0
                octanol + 6
                octyl group 0
                perflubron 9
                perfluorooctane + 4852
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19880
        subatomic particle 19878
          composite particle 19878
            hadron 19878
              baryon 19878
                nucleon 19878
                  atomic nucleus 19878
                    atom 19878
                      main group element atom 19817
                        main group molecular entity 19817
                          s-block molecular entity 19653
                            hydrogen molecular entity 19634
                              hydrides 19144
                                organic hydride 18691
                                  organic fundamental parent 18691
                                    hydrocarbon 18442
                                      alkane 14617
                                        octane 4856
                                          1,2:7,8-diepoxyoctane 0
                                          1,8-diaminooctane + 5
                                          1,8-dichloro-perfluorooctane 0
                                          2-butyl-1-octanol + 0
                                          3,5-dimethyloctane 0
                                          3-octanone 0
                                          4-sulfanyloctan-1-ol 0
                                          8-(methylsulfinyl)octyl isothiocyanate 0
                                          8-(methylthio)octylisothiocyanate 0
                                          octanediol + 0
                                          octanol + 6
                                          octyl group 0
                                          perflubron 9
                                          perfluorooctane + 4852
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