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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:butan-1-amine
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Accession:CHEBI:43799 term browser browse the term
Definition:A primary aliphatic amine that is butane substituted by an amino group at position 1.
Synonyms:related_synonym: 1-Aminobutan;   1-aminobutane;   1-butanamine;   1-butylamine;   BUTYLAMINE;   Formula=C4H11N;   InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3;   InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N;   SMILES=CCCCN;   butanamine;   mono-n-butylamine;   monobutylamine;   n-Butylamin;   n-C4H9NH2;   n-butylamine
 xref: CAS:109-73-9;   DrugBank:DB03659;   Gmelin:1784
 xref_mesh: MESH:C032462
 xref: MetaCyc:BUTYLAMINE;   PDBeChem:LYT;   PMID:16387436;   PMID:23470444;   PMID:23734590;   Reaxys:605269;   Wikipedia:N-Butylamine

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Path 1
Term Annotations click to browse term
  CHEBI ontology 2
    role 2
      application 2
        NMR chemical shift reference compound 1
          ammonia 1
            organic amino compound 1
              amine 0
                primary amine 0
                  primary aliphatic amine 0
                    butan-1-amine 0
                      4-aminobutyl group + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      s-block molecular entity 1
                        hydrogen molecular entity 1
                          hydrides 1
                            inorganic hydride 1
                              pnictogen hydride 1
                                nitrogen hydride 1
                                  azane 1
                                    ammonia 1
                                      organic amino compound 1
                                        primary amino compound 0
                                          primary amine 0
                                            primary aliphatic amine 0
                                              butan-1-amine 0
                                                4-aminobutyl group + 0
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