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CHEBI:39867 - valproic acid

ChEBI IDCHEBI:39867
ChEBI Namevalproic acid
Stars
DefinitionA branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.
Secondary ChEBI IDsCHEBI:9926, CHEBI:39858, CHEBI:115217
Last Modified22 February 2017
DownloadsMolfile

FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
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)
InChIKeyNIJJYAXOARWZEE-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2-propylpentanoic acid
INNs  Source
valproic acidChemIDplus
ácido valproico  esChemIDplus
acide valproïque  frChemIDplus
acidum valproicum  laChemIDplus
Synonyms  Source
2-propylvaleric acidChemIDplus
4-heptanecarboxylic acidChemIDplus
di-n-propylacetic acidChemIDplus
2-PROPYL-PENTANOIC ACIDPDBeChem
dipropylacetic acidNIST Chemistry WebBook
DPANIST Chemistry WebBook
Brand Name  Source
DepakeneKEGG DRUG
Manual XrefsDatabases
C07185KEGG COMPOUND
D00399KEGG DRUG
2PPPDBeChem
DB00313DrugBank
Valproic_AcidWikipedia
LMFA01020291LIPID MAPS
HMDB0001877HMDB
LSM-4620LINCS
2803DrugCentral
Registry NumbersSources
Beilstein:1750447Beilstein
Reaxys:1750447Reaxys
CAS:99-66-1ChemIDplus
CAS:99-66-1NIST Chemistry WebBook
Citations