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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 19785
    role 19732
      chemical role 19248
        donor 18377
          Bronsted acid 18240
            protic solvent 14379
              butan-1-ol 5549
                4-chlorobutanol 0
                Butyl propionate 0
                Monobutylphthalate 527
                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 4872
                n-butyl oleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      chalcogen 19360
                        oxygen atom 19321
                          oxygen molecular entity 19321
                            hydroxides 19066
                              organic hydroxy compound 18630
                                alcohol 14984
                                  aliphatic alcohol 11104
                                    alkyl alcohol 11058
                                      butan-1-ol 5549
                                        4-chlorobutanol 0
                                        Butyl propionate 0
                                        Monobutylphthalate 527
                                        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 4872
                                        n-butyl oleate 0
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