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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 5164
    role 5131
      application 909
        NMR chemical shift reference compound 447
          ammonia 415
            organic amino compound 308
              amine 7
                primary amine 2
                  primary aliphatic amine 1
                    butan-1-amine 0
                      4-aminobutyl group + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5164
    subatomic particle 5155
      composite particle 5155
        hadron 5155
          baryon 5155
            nucleon 5155
              atomic nucleus 5155
                atom 5155
                  main group element atom 5127
                    main group molecular entity 5126
                      s-block molecular entity 5059
                        hydrogen molecular entity 5052
                          hydrides 4672
                            inorganic hydride 427
                              pnictogen hydride 423
                                nitrogen hydride 423
                                  azane 415
                                    ammonia 415
                                      organic amino compound 308
                                        primary amino compound 68
                                          primary amine 2
                                            primary aliphatic amine 1
                                              butan-1-amine 0
                                                4-aminobutyl group + 0
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