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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:1-nitrohexane
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Accession:CHEBI:89185 term browser browse the term
Definition:A primary nitroalkane that is hexane substituted by a nitro group at position 1.
Synonyms:related_synonym: 1-nitro-hexane;   Formula=C6H13NO2;   InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3;   InChIKey=FEYJIFXFOHFGCC-UHFFFAOYSA-N;   SMILES=[O-][N+](=O)CCCCCC;   nitrohexane
 xref: CAS:646-14-0;   HMDB:HMDB0013812;   MetaCyc:CPD-8146;   PDBeChem:N6C;   PMID:19265437;   PMID:30447610;   PMID:3350897;   PMID:546946;   Reaxys:1749466


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        aetiopathogenetic role 19196
          neurotoxin 18183
            hexane 435
              1-nitrohexane 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      pnictogen 19049
                        nitrogen atom 18962
                          nitrogen molecular entity 18962
                            nitro compound 11129
                              C-nitro compound 10855
                                nitrohydrocarbon 1571
                                  nitroalkane 50
                                    primary nitroalkane 41
                                      1-nitrohexane 0
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