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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-ol
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Accession:CHEBI:28885 term browser browse the term
Definition:A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.
Synonyms:related_synonym: 1-Butanol;   1-butyl alcohol;   1-hydroxybutane;   BuOH;   Formula=C4H10O;   InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3;   InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N;   SMILES=CCCCO;   n-Butanol;   n-Butylalkohol;   n-butan-1-ol;   n-butyl alcohol;   propyl carbinol
 alt_id: CHEBI:22936;   CHEBI:39632;   CHEBI:612
 xref: Beilstein:969148;   CAS:71-36-3;   DrugBank:DB02145;   Gmelin:25753;   HMDB:HMDB0004327;   KEGG:C06142;   KEGG:D03200
 xref_mesh: MESH:D020001
 xref: MetaCyc:BUTANOL;   PDBeChem:1BO;   PMID:23980702;   PMID:7096503;   PPDB:1309;   Reaxys:969148;   Wikipedia:N-Butanol


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      chemical role 19283
        donor 18416
          Bronsted acid 18283
            protic solvent 14432
              butan-1-ol 5555
                4-chlorobutanol 0
                Butyl propionate 0
                Monobutylphthalate 529
                butamben + 5
                butyl 2-(4-\{[5-(trifluoromethyl)pyridin-2-yl]oxy\}phenoxy)propanoate + 2
                butyl acetate + 0
                butyl acrylate 0
                butyl anthranilate 0
                butyl butanoate 0
                butyl dec-9-enoate 0
                butyl formate 0
                butyl hexanoate 0
                butyl octanoate 0
                dibutyl phthalate 4878
                n-butyl oleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      chalcogen 19391
                        oxygen atom 19353
                          oxygen molecular entity 19353
                            hydroxides 19103
                              organic hydroxy compound 18658
                                alcohol 15007
                                  aliphatic alcohol 11130
                                    alkyl alcohol 11084
                                      butan-1-ol 5555
                                        4-chlorobutanol 0
                                        Butyl propionate 0
                                        Monobutylphthalate 529
                                        butamben + 5
                                        butyl 2-(4-\{[5-(trifluoromethyl)pyridin-2-yl]oxy\}phenoxy)propanoate + 2
                                        butyl acetate + 0
                                        butyl acrylate 0
                                        butyl anthranilate 0
                                        butyl butanoate 0
                                        butyl dec-9-enoate 0
                                        butyl formate 0
                                        butyl hexanoate 0
                                        butyl octanoate 0
                                        dibutyl phthalate 4878
                                        n-butyl oleate 0
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