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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:sodium phenylbutyrate
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Accession:CHEBI:75316 term browser browse the term
Definition:The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders.
Synonyms:exact_synonym: sodium 4-phenylbutanoate
 related_synonym: 4PBA;   Ammonaps;   Benzenebutanoic acid, sodium salt;   Buphenyl;   Formula=C10H11NaO2;   InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1;   InChIKey=VPZRWNZGLKXFOE-UHFFFAOYSA-M;   SMILES=[Na+].[O-]C(=O)CCCc1ccccc1;   Sodium 4-phenylbutyrate;   TriButyrate
 xref: CAS:1716-12-7;   KEGG:D05868;   PMID:21767572;   PMID:21902286;   PMID:22069317;   PMID:22328638;   PMID:22723850;   PMID:23448466;   Patent:CN102757334;   Patent:FR2959129;   Patent:MX2010009933;   Patent:US2009221714;   Reaxys:4039802;   Wikipedia:Sodium_phenylbutyrate


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Path 1
Term Annotations click to browse term
  CHEBI ontology 400
    role 400
      application 354
        pro-agent 17
          prodrug 17
            sodium phenylbutyrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 400
    subatomic particle 400
      composite particle 400
        hadron 400
          baryon 400
            nucleon 400
              atomic nucleus 400
                atom 400
                  main group element atom 393
                    main group molecular entity 393
                      s-block molecular entity 337
                        alkali metal molecular entity 10
                          sodium molecular entity 10
                            elemental sodium 10
                              sodium(1+) 10
                                sodium salt 10
                                  organic sodium salt 1
                                    sodium phenylbutyrate 0
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