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
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
isovaleric acid (CHEBI:28484) has role mammalian metabolite (CHEBI:75768)
isovaleric acid (CHEBI:28484) has role plant metabolite (CHEBI:76924)
isovaleric acid (CHEBI:28484) is a branched-chain saturated fatty acid (CHEBI:39417)
isovaleric acid (CHEBI:28484) is a methylbutyric acid (CHEBI:38653)
isovaleric acid (CHEBI:28484) is a short-chain fatty acid (CHEBI:26666)
isovaleric acid (CHEBI:28484) is conjugate acid of isovalerate (CHEBI:48942)
Incoming Relation(s)
(E)-2-(methoxyimino)-3-methylbutanoic acid (CHEBI:131390) has functional parent isovaleric acid (CHEBI:28484)
N-isovaleryl-L-alanine (CHEBI:136818) has functional parent isovaleric acid (CHEBI:28484)
O-isovalerylcarnitine (CHEBI:73025) has functional parent isovaleric acid (CHEBI:28484)
2-(4-chlorophenyl)-3-methylbutyric acid (CHEBI:39345) has functional parent isovaleric acid (CHEBI:28484)
2-(4-hydroxyphenyl)-3-methylbutyric acid (CHEBI:39359) has functional parent isovaleric acid (CHEBI:28484)
2-hexenyl isovalerate (CHEBI:176332) has functional parent isovaleric acid (CHEBI:28484)
2-hydroxy-3-methylbutyric acid (CHEBI:60645) has functional parent isovaleric acid (CHEBI:28484)
2,2-dihydroxy-3-methylbutanoic acid (CHEBI:167881) has functional parent isovaleric acid (CHEBI:28484)
2,3-dihydroxy-3-methylbutanoic acid (CHEBI:15689) has functional parent isovaleric acid (CHEBI:28484)
3-hexenyl isovalerate (CHEBI:194237) has functional parent isovaleric acid (CHEBI:28484)
3-hydroxyisovaleric acid (CHEBI:37084) has functional parent isovaleric acid (CHEBI:28484)
3-methylbutaneperoxoic acid (CHEBI:229586) has functional parent isovaleric acid (CHEBI:28484)
ananolignan J (CHEBI:67447) has functional parent isovaleric acid (CHEBI:28484)
ethyl isovalerate (CHEBI:31571) has functional parent isovaleric acid (CHEBI:28484)
isovaleryl-CoA (CHEBI:15487) has functional parent isovaleric acid (CHEBI:28484)
neurolenin A (CHEBI:66620) has functional parent isovaleric acid (CHEBI:28484)
neurolenin B (CHEBI:66621) has functional parent isovaleric acid (CHEBI:28484)
neurolenin C (CHEBI:66622) has functional parent isovaleric acid (CHEBI:28484)
neurolenin D (CHEBI:66623) has functional parent isovaleric acid (CHEBI:28484)
isovalerate (CHEBI:48942) is conjugate base of isovaleric acid (CHEBI:28484)
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
IsovaleriansäureChEBI
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