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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 19898
        role 19869
          biological role 19867
            aetiopathogenetic role 19243
              teratogenic agent 16166
                valproic acid 14505
                  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 19770
                              organic molecular entity 19770
                                heteroorganic entity 19535
                                  organochalcogen compound 19296
                                    organooxygen compound 19213
                                      carbon oxoacid 18682
                                        carboxylic acid 18679
                                          monocarboxylic acid 18028
                                            fatty acid 16855
                                              saturated fatty acid 16572
                                                straight-chain saturated fatty acid 16103
                                                  valeric acid 14532
                                                    valproic acid 14505
                                                      valproate semisodium 0
                                                      valpromide 2
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