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CHEBI:28484 - isovaleric acid

ChEBI IDCHEBI:28484
ChEBI Nameisovaleric acid
Stars
DefinitionA C5, branched-chain saturated fatty acid.
Secondary ChEBI IDsCHEBI:6069, CHEBI:24930, CHEBI:43426
Last Modified5 March 2024
DownloadsMolfile

FormulaC5H10O2
Net Charge0
Average Mass102.133
Monoisotopic Mass102.06808
SMILESCC(C)CC(=O)O
InChIInChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyGWYFCOCPABKNJV-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
3-methylbutanoic acid
Synonyms  Source
Isovaleric acidKEGG COMPOUND
3-Methylbutanoic acidKEGG COMPOUND
β-methylbutyric acidNIST Chemistry WebBook
3-methylbutyric acidNIST Chemistry WebBook
isobutylformic acidChemIDplus
Isovaleriansäure  deChEBI
Manual XrefsDatabases
C08262KEGG COMPOUND
IVAPDBeChem
LMFA01020181LIPID MAPS
DB03750DrugBank
C00001189KNApSAcK
3129PPDB
Registry NumbersSources
Gmelin:101117Gmelin
Beilstein:1098522Beilstein
CAS:503-74-2KEGG COMPOUND
CAS:503-74-2ChemIDplus
CAS:503-74-2NIST Chemistry WebBook
Citations