CHEBI:188326 - ammonium isovalerate

ChEBI IDCHEBI:188326
ChEBI Nameammonium isovalerate
Stars
DefinitionAn organic ammonium salt of isovaleric acid.
Last Modified18 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H9O2.H4N
Net Charge0
Average Mass119.164
Monoisotopic Mass119.09463
SMILESCC(C)CC(=O)[O-].[NH4+]
InChIInChI=1S/C5H10O2.H3N/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);1H3
InChIKeyRKCHCKMAQPJXBM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Biological Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
ammonium isovalerate (CHEBI:188326) has part isovalerate (CHEBI:48942)
ammonium isovalerate (CHEBI:188326) has role flavouring agent (CHEBI:35617)
ammonium isovalerate (CHEBI:188326) is a organic ammonium salt (CHEBI:143100)
IUPAC Name 
ammonium 3-methylbutanoate
Synonyms  Source
isovaleric acid ammonium saltChEBI
isovaleric acid, ammonium saltChEBI
3-methylbutanoic acid ammonium saltChEBI
azanium 3-methylbutanoateChEBI
FEMA 2054ChEBI
ammonium 3-methylbutyrateChEBI
Manual XrefsDatabases
55345ChemSpider
FDB017249FooDB
Registry NumbersSources
Reaxys:33869685Reaxys
CAS:7563-33-9ChemIDplus
Citations