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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 24191
    role 24084
      biological role 24050
        aetiopathogenetic role 22652
          teratogenic agent 17739
            valproic acid 16110
              valproate semisodium 0
              valpromide 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 24191
    subatomic particle 24144
      composite particle 24144
        hadron 24144
          baryon 24144
            nucleon 24144
              atomic nucleus 24144
                atom 24144
                  main group element atom 23976
                    p-block element atom 23976
                      carbon group element atom 23703
                        carbon atom 23660
                          organic molecular entity 23660
                            organic group 22176
                              organic divalent group 22150
                                organodiyl group 22150
                                  carbonyl group 22129
                                    carbonyl compound 22129
                                      carboxylic acid 21165
                                        monocarboxylic acid 20045
                                          fatty acid 18204
                                            saturated fatty acid 18176
                                              straight-chain saturated fatty acid 17106
                                                valeric acid 16131
                                                  valproic acid 16110
                                                    valproate semisodium 0
                                                    valpromide 2
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