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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 19821
        role 19769
          biological role 19769
            aetiopathogenetic role 19044
              teratogenic agent 15891
                valproic acid 14325
                  valproate semisodium 0
                  valpromide 2
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19821
        subatomic particle 19819
          composite particle 19819
            hadron 19819
              baryon 19819
                nucleon 19819
                  atomic nucleus 19819
                    atom 19819
                      main group element atom 19716
                        p-block element atom 19716
                          carbon group element atom 19640
                            carbon atom 19630
                              organic molecular entity 19630
                                organic group 18737
                                  organic divalent group 18728
                                    organodiyl group 18728
                                      carbonyl group 18675
                                        carbonyl compound 18675
                                          carboxylic acid 18373
                                            monocarboxylic acid 17636
                                              fatty acid 16008
                                                saturated fatty acid 15984
                                                  straight-chain saturated fatty acid 15440
                                                    valeric acid 14349
                                                      valproic acid 14325
                                                        valproate semisodium 0
                                                        valpromide 2
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