Valproic acid

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Systematic / IUPAC Name: 2-Propylpentanoic acid

ID: Reference13817

Other Names: AA-3783

Formula: C8H16O2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs Endogenous Metabolites

Spectral Data

Valproic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 70
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/11/2026 4:45:36 PM
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Identificators

InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChI Key NIJJYAXOARWZEE-UHFFFAOYSA-N
Canonical SMILES CCCC(CCC)C(=O)O
CAS
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Other Names AA-3783

In Other Databases

KEGG C07185
Wikipedia Valproic acid
PubChem 3121; 3121
LipidsMAPs LMFA01020291
ChemSpider Depakene; 3009
ChEBI CHEBI:39867
ChEMBL CHEMBL109
HMDb HMDB0001877; HMDB0001877
DrugBank DB00313; DB00313