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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
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      CHEBI ontology 19898
        role 19868
          biological role 19866
            aetiopathogenetic role 19240
              teratogenic agent 16158
                valproic acid 14504
                  valproate semisodium 0
                  valpromide 2
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19898
        subatomic particle 19896
          composite particle 19896
            hadron 19896
              baryon 19896
                nucleon 19896
                  atomic nucleus 19896
                    atom 19896
                      main group element atom 19835
                        p-block element atom 19835
                          carbon group element atom 19774
                            carbon atom 19771
                              organic molecular entity 19771
                                heteroorganic entity 19528
                                  organochalcogen compound 19290
                                    organooxygen compound 19206
                                      carbon oxoacid 18675
                                        carboxylic acid 18672
                                          monocarboxylic acid 18017
                                            fatty acid 16843
                                              saturated fatty acid 16565
                                                straight-chain saturated fatty acid 16100
                                                  valeric acid 14531
                                                    valproic acid 14504
                                                      valproate semisodium 0
                                                      valpromide 2
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