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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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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            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 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              organic hydroxy compound 0
                                polyol 0
                                  diol 0
                                    glycol 0
                                      propanediol 0
                                        propane-1,3-diols 0
                                          propane-1,3-diol 0
                                            1,3-diacetoxypropane 0
                                            3-hydroxypropoxy group 0
                                            propamidine 0
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