3,4-Dimethyl-5-pentyl-2-furanpropanoic acid (CHEBI:168605)

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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	3,4-Dimethyl-5-pentyl-2-furanpropanoic acid

ChEBI ID	CHEBI:168605

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O3

Net Charge

Average Mass

238.327

Monoisotopic Mass

238.15689

InChI

InChI=1S/C14H22O3/c1-4-5-6-7-12-10(2)11(3)13(17-12)8-9-14(15)16/h4-9H2,1-3H3,(H,15,16)

InChIKey

OSCJFAHVJDDMFL-UHFFFAOYSA-N

SMILES

O1C(CCCCC)=C(C(=C1CCC(O)=O)C)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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	3,4-Dimethyl-5-pentyl-2-furanpropanoic acid (CHEBI:168605) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

3-(3,4-dimethyl-5-pentyluran-2-yl)propanoic acid