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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:valproic acid
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Accession:CHEBI:39867 term browser browse the term
Definition:A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.
Synonyms:related_synonym: 2-PROPYL-PENTANOIC ACID;   2-n-propyl-n-valeric acid;   2-propylpentanoic acid;   2-propylvaleric acid;   4-heptanecarboxylic acid;   DPA;   Depakene;   Di-n-propylessigsaeure;   Formula=C8H16O2;   InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10);   InChIKey=NIJJYAXOARWZEE-UHFFFAOYSA-N;   SMILES=CCCC(CCC)C(O)=O;   VPA;   Valproinsaeure;   acide valproique;   acido valproico;   acidum valproicum;   di-n-propylacetic acid;   dipropylacetic acid;   n-DPA
 alt_id: CHEBI:115217;   CHEBI:39858;   CHEBI:9926
 xref: Beilstein:1750447;   CAS:99-66-1;   DrugBank:DB00313;   Drug_Central:2803;   HMDB:HMDB0001877;   KEGG:C07185;   KEGG:D00399;   LINCS:LSM-4620;   LIPID_MAPS_instance:LMFA01020291
 xref_mesh: MESH:D014635
 xref: PDBeChem:2PP;   PMID:11716839;   PMID:12475192;   PMID:15124690;   PMID:15560954;   PMID:15578701;   PMID:16496131;   PMID:16621443;   PMID:16759735;   PMID:17156483;   PMID:17273758;   PMID:19280426;   PMID:19318486;   PMID:23792104;   PMID:23810771;   PMID:23949302;   PMID:24135375;   PMID:24200999;   PMID:24348849;   PMID:8558327;   PMID:8681902;   Reaxys:1750447;   Wikipedia:Valproic_Acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:60654



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  • Term paths to the root
    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19838
        role 19810
          biological role 19808
            aetiopathogenetic role 19215
              teratogenic agent 16143
                valproic acid 14506
                  valproate semisodium 0
                  valpromide 2
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19838
        subatomic particle 19836
          composite particle 19836
            hadron 19836
              baryon 19836
                nucleon 19836
                  atomic nucleus 19836
                    atom 19836
                      main group element atom 19782
                        p-block element atom 19782
                          carbon group element atom 19722
                            carbon atom 19719
                              organic molecular entity 19719
                                heteroorganic entity 19474
                                  organochalcogen compound 19262
                                    organooxygen compound 19153
                                      carbon oxoacid 18647
                                        carboxylic acid 18620
                                          monocarboxylic acid 17994
                                            fatty acid 16843
                                              saturated fatty acid 16565
                                                straight-chain saturated fatty acid 16078
                                                  valeric acid 14523
                                                    valproic acid 14506
                                                      valproate semisodium 0
                                                      valpromide 2
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