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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:propyl 4-hydroxybenzoate sulfate
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Accession:CHEBI:133706 term browser browse the term
Definition:A benzoate ester that is propyl 4-hydroxybenzoate in which the phenolic hydrogen has been replaced by a sulfo group.
Synonyms:exact_synonym: propyl 4-(sulfooxy)benzoate
 related_synonym: Formula=C10H12O6S;   InChI=1S/C10H12O6S/c1-2-7-15-10(11)8-3-5-9(6-4-8)16-17(12,13)14/h3-6H,2,7H2,1H3,(H,12,13,14);   InChIKey=WEKBGFBWJOHXKR-UHFFFAOYSA-N;   SMILES=O(C(C=1C=CC(=CC1)OS(O)(=O)=O)=O)CCC;   propyl 4-sulfooxybenzoate;   propyl p-hydroxybenzoate sulfate;   propyl para-hydroxybenzoate sulfate;   propyl paraben sulfate;   propylparaben sulfate
 cyclic_relationship: is_conjugate_acid_of CHEBI:133707


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          metabolite 19502
            eukaryotic metabolite 19319
              plant metabolite 17959
                4-hydroxybenzoic acid 1241
                  propyl 4-hydroxybenzoate sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      aromatic carboxylic acid 12594
                                        benzoic acids 12571
                                          benzoic acid 5327
                                            hydroxybenzoic acid 4795
                                              monohydroxybenzoic acid 2612
                                                4-hydroxybenzoic acid 1241
                                                  propyl 4-hydroxybenzoate sulfate 0
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