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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      application 19406
        pro-agent 8879
          prodrug 8634
            sodium phenylbutyrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    main group molecular entity 19658
                      s-block molecular entity 19423
                        alkali metal molecular entity 10647
                          sodium molecular entity 8659
                            elemental sodium 8659
                              sodium(1+) 8659
                                sodium salt 8659
                                  organic sodium salt 1286
                                    sodium phenylbutyrate 0
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