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CHEBI:60654 - valproate

ChEBI IDCHEBI:60654
ChEBI Namevalproate
Stars
DefinitionA branched-chain saturated fatty acid anion that is the conjugate base of valproic acid.
Secondary ChEBI IDCHEBI:68615
Last Modified25 February 2016
Submitternamrata, zjosephs
DownloadsMolfile
FormulaC8H15O2
Net Charge-1
Average Mass143.206
Monoisotopic Mass143.10775
SMILESCCCC(CCC)C(=O)[O-]
InChIInChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyNIJJYAXOARWZEE-UHFFFAOYSA-M
Roles Classification
Application:
antimanic drug  Antimanic drugs are agents used to treat bipolar disorders or mania associated with other affective disorders.
ChEBI Ontology
Outgoing Relation(s)
valproate (CHEBI:60654) has functional parent valerate (CHEBI:31011)
valproate (CHEBI:60654) has role antimanic drug (CHEBI:35477)
valproate (CHEBI:60654) is a branched-chain saturated fatty acid anion (CHEBI:58956)
valproate (CHEBI:60654) is conjugate base of valproic acid (CHEBI:39867)
Incoming Relation(s)
valproyl-CoA(4−) (CHEBI:156457) has functional parent valproate (CHEBI:60654)
sodium valproate (CHEBI:9925) has part valproate (CHEBI:60654)
valproic acid (CHEBI:39867) is conjugate acid of valproate (CHEBI:60654)
IUPAC Name 
2-propylpentanoate
Synonyms  Source
2-propylvalerateChEBI
dipropylacetateChEBI
Manual XrefsDatabases
LSM-6363LINCS
Citations