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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:butane-1,3-diol
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Accession:CHEBI:52683 term browser browse the term
Definition:A butanediol compound having two hydroxy groups in the 1- and 3-positions.
Synonyms:related_synonym: (RS)-1,3-Butandiol;   1,3-Butandiol;   1,3-Butanediol;   1,3-Butylene glycol;   1,3-Butylenglykol;   1,3-Dihydroxybutane;   1-Methyl-1,3-propanediol;   Formula=C4H10O2;   InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3;   InChIKey=PUPZLCDOIYMWBV-UHFFFAOYSA-N;   Methyltrimethylene glycol;   SMILES=CC(O)CCO;   beta-Butylene glycol
 xref: Beilstein:1718945;   CAS:107-88-0;   Gmelin:2409;   HMDB:HMDB0031320
 xref_mesh: MESH:C028491
 xref: MetaCyc:CPD-12276;   PMID:7455861;   Reaxys:1718945;   Wikipedia:1\,3-Butanediol


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butane-1,3-diol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 increases activity
increases expression
EXP 1,3-butylene glycol results in increased activity of CYP2E1 protein
1,3-butylene glycol results in increased expression of CYP2E1 protein
CTD PMID:2919394 NCBI chr 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        refrigerant 17694
          butane 73
            butanediol 66
              butane-1,3-diol 1
                (R)-butane-1,3-diol 0
                (S)-butane-1,3-diol 0
                1,3-dihydroxybutan-2-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      chalcogen 19469
                        oxygen atom 19445
                          oxygen molecular entity 19445
                            hydroxides 19180
                              organic hydroxy compound 18672
                                polyol 8074
                                  diol 3338
                                    butanediols 150
                                      butanediol 66
                                        butane-1,3-diol 1
                                          (R)-butane-1,3-diol 0
                                          (S)-butane-1,3-diol 0
                                          1,3-dihydroxybutan-2-one 0
paths to the root