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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:propane-1,3-diol
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Accession:CHEBI:16109 term browser browse the term
Definition:The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze.
Synonyms:related_synonym: (HOCH2)2CH2;   1,3-PROPANDIOL;   1,3-Propanediol;   1,3-dihydroxypropane;   1,3-propylene glycol;   1,3-propylenediol;   2-(hydroxymethyl)ethanol;   2-deoxyglycerol;   CH2(CH2OH)2;   Formula=C3H8O2;   HO(CH2)3OH;   HOCH2CH2CH2OH;   InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2;   InChIKey=YPFDHNVEDLHUCE-UHFFFAOYSA-N;   SMILES=OCCCO;   Trimethylene glycol;   beta-propylene glycol;   omega-propanediol
 alt_id: CHEBI:14902;   CHEBI:26286;   CHEBI:44868;   CHEBI:8471
 xref: CAS:504-63-2;   DrugBank:DB02774;   KEGG:C02457;   MetaCyc:CPD-347;   PDBeChem:PDO;   PMID:10531640;   PMID:16020043;   PMID:17439666;   Reaxys:969155;   Wikipedia:1\,3-Propanediol



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19823
    role 19773
      biological role 19773
        biochemical role 19390
          metabolite 19367
            propane-1,3-diol 0
              1,3-diacetoxypropane 0
              3-hydroxypropoxy group 0
              propamidine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    p-block element atom 19720
                      chalcogen 19471
                        oxygen atom 19447
                          oxygen molecular entity 19447
                            hydroxides 19175
                              organic hydroxy compound 18666
                                polyol 8078
                                  diol 3338
                                    glycol 3105
                                      propanediol 1157
                                        propane-1,3-diols 0
                                          propane-1,3-diol 0
                                            1,3-diacetoxypropane 0
                                            3-hydroxypropoxy group 0
                                            propamidine 0
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