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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:isooctane
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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19911
    role 19854
      chemical role 19507
        fuel additive 3274
          isooctane 0
            isooctanediol dibutyrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    main group molecular entity 19849
                      s-block molecular entity 19681
                        hydrogen molecular entity 19662
                          hydrides 19167
                            organic hydride 18711
                              organic fundamental parent 18711
                                hydrocarbon 18454
                                  alkane 14624
                                    isooctane 0
                                      isooctanediol dibutyrate 0
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