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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:3,5-dimethyloctane
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Accession:CHEBI:84237 term browser browse the term
Definition:An alkane that is octane substituted by methyl groups at positions 3 and 5. Metabolite observed in cancer metabolism.
Synonyms:related_synonym: Formula=C10H22;   InChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3;   InChIKey=VRHRGVJOUHJULC-UHFFFAOYSA-N;   SMILES=CCCC(C)CC(C)CC
 xref: CAS:15869-93-9;   PMID:25518943;   Reaxys:1696983


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19867
    role 19837
      biological role 19835
        xenobiotic 18714
          octane 4857
            3,5-dimethyloctane 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19867
    subatomic particle 19865
      composite particle 19865
        hadron 19865
          baryon 19865
            nucleon 19865
              atomic nucleus 19865
                atom 19865
                  main group element atom 19803
                    main group molecular entity 19803
                      s-block molecular entity 19638
                        hydrogen molecular entity 19620
                          hydrides 19141
                            organic hydride 18692
                              organic fundamental parent 18692
                                hydrocarbon 18446
                                  alkane 14645
                                    octane 4857
                                      3,5-dimethyloctane 0
paths to the root