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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:valproate semisodium
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Accession:CHEBI:4667 term browser browse the term
Definition:A mixture of valproic acid and its sodium salt in a 1:1 molar ratio. It is used for the management and treatment of seizure disorders, mania, and prophylactic treatment of migraine headache.
Synonyms:exact_synonym: sodium 2-propylpentanoate--2-propylpentanoic acid (1:1)
 related_synonym: Formula=C16H31NaO4;   InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1;   InChIKey=MSRILKIQRXUYCT-UHFFFAOYSA-M;   SMILES=[Na+].CCCC(CCC)C(O)=O.CCCC(CCC)C([O-])=O;   divalproex sodium;   sodium divalproate;   sodium hydrogen bis(2-propylpentanoate);   sodium hydrogen bis(2-propylvalerate);   sodium hydrogen divalproate;   valproate semisodique;   valproato semisodico;   valproatum seminatricum
 xref: Beilstein:8462424;   CAS:76584-70-8;   DrugBank:DB00510;   KEGG:D00304



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20057
    role 20023
      biological role 20010
        aetiopathogenetic role 19293
          teratogenic agent 15952
            valproic acid 14387
              valproate semisodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20057
    subatomic particle 20056
      composite particle 20068
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19889
                        carbon atom 19894
                          organic molecular entity 19882
                            organic group 18982
                              organic divalent group 18968
                                organodiyl group 18968
                                  carbonyl group 18923
                                    carbonyl compound 18923
                                      carboxylic acid 18620
                                        monocarboxylic acid 17854
                                          fatty acid 16475
                                            saturated fatty acid 16138
                                              straight-chain saturated fatty acid 15569
                                                valeric acid 14412
                                                  valproic acid 14387
                                                    valproate semisodium 0
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