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CHEBI:191228 - 2-amyl 3-butenoic acid

Default Structure
ChEBI IDCHEBI:191228
ChEBI Name2-amyl 3-butenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O2
Net Charge0
Average Mass156.225
Monoisotopic Mass156.11503
SMILESC=CC(CCCCC)C(=O)O
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8(4-2)9(10)11/h4,8H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyVJICCZIMJKBXME-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-amyl 3-butenoic acid (CHEBI:191228) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
2-ethenylheptanoic acid
Manual XrefsDatabases
4445793ChemSpider
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