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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 19781
    role 19726
      application 19412
        pro-agent 8890
          prodrug 8645
            sodium phenylbutyrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    main group molecular entity 19669
                      s-block molecular entity 19434
                        alkali metal molecular entity 10642
                          sodium molecular entity 8654
                            elemental sodium 8654
                              sodium(1+) 8654
                                sodium salt 8654
                                  organic sodium salt 1285
                                    sodium phenylbutyrate 0
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