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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 19853
        role 19825
          biological role 19823
            aetiopathogenetic role 19206
              teratogenic agent 16152
                valproic acid 14500
                  valproate semisodium 0
                  valpromide 2
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19853
        subatomic particle 19851
          composite particle 19851
            hadron 19851
              baryon 19851
                nucleon 19851
                  atomic nucleus 19851
                    atom 19851
                      main group element atom 19797
                        p-block element atom 19797
                          carbon group element atom 19738
                            carbon atom 19734
                              organic molecular entity 19734
                                heteroorganic entity 19492
                                  organochalcogen compound 19254
                                    organooxygen compound 19170
                                      carbon oxoacid 18637
                                        carboxylic acid 18634
                                          monocarboxylic acid 18009
                                            fatty acid 16844
                                              saturated fatty acid 16563
                                                straight-chain saturated fatty acid 16096
                                                  valeric acid 14527
                                                    valproic acid 14500
                                                      valproate semisodium 0
                                                      valpromide 2
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