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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        aetiopathogenetic role 4604
          teratogenic agent 187
            valproic acid 0
              valproate semisodium 0
              valpromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carboxylic acid 364
                                      monocarboxylic acid 206
                                        fatty acid 131
                                          saturated fatty acid 81
                                            straight-chain saturated fatty acid 34
                                              valeric acid 0
                                                valproic acid 0
                                                  valproate semisodium 0
                                                  valpromide 0
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