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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

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Accession:CHEBI:62805 term browser browse the term
Definition:An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.
Synonyms:exact_synonym: 2,2,4-trimethylpentane
 related_synonym: (CH3)2CHCH2C(CH3)3;   Formula=C8H18;   InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3;   InChIKey=NHTMVDHEPJAVLT-UHFFFAOYSA-N;   Isobutyltrimethylmethane;   SMILES=CC(C)CC(C)(C)C;   iso-octane
 xref: Beilstein:1696876;   CAS:540-84-1;   PMID:23234386;   Reaxys:1696876;   Wikipedia:Isooctane

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Term Annotations click to browse term
  CHEBI ontology 19765
    role 19738
      chemical role 19377
        fuel additive 3170
          isooctane 0
            isooctanediol dibutyrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19765
    subatomic particle 19763
      composite particle 19763
        hadron 19763
          baryon 19763
            nucleon 19763
              atomic nucleus 19763
                atom 19763
                  main group element atom 19712
                    main group molecular entity 19712
                      s-block molecular entity 19567
                        hydrogen molecular entity 19558
                          hydrides 19031
                            organic hydride 18634
                              organic fundamental parent 18634
                                hydrocarbon 18380
                                  alkane 14039
                                    isooctane 0
                                      isooctanediol dibutyrate 0
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