2-amyl 3-butenoic acid (CHEBI:191228)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-amyl 3-butenoic acid

ChEBI ID	CHEBI:191228

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H16O2

Net Charge

Average Mass

156.225

Monoisotopic Mass

156.11503

InChI

InChI=1S/C9H16O2/c1-3-5-6-7-8(4-2)9(10)11/h4,8H,2-3,5-7H2,1H3,(H,10,11)

InChIKey

VJICCZIMJKBXME-UHFFFAOYSA-N

SMILES

OC(=O)C(CCCCC)C=C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-amyl 3-butenoic acid (CHEBI:191228) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

2-ethenylheptanoic acid