3,4-dimethyl-5-carboxyethyl-2-furanacrylic acid (CHEBI:177978)

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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-carboxyethyl-2-furanacrylic acid

ChEBI ID	CHEBI:177978

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H14O5

Net Charge

Average Mass

238.239

Monoisotopic Mass

238.08412

InChI

InChI=1S/C12H14O5/c1-7-8(2)10(4-6-12(15)16)17-9(7)3-5-11(13)14/h3,5H,4,6H2,1-2H3,(H,13,14)(H,15,16)/b5-3+

InChIKey

CPSCLNDMBZOUQX-HWKANZROSA-N

SMILES

O1C(=C(C(=C1/C=C/C(O)=O)C)C)CCC(O)=O

Metabolite of Species	Details
Bombyx mori (NCBI:txid7091)	Found in hemolymph (BTO:0000572). 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-carboxyethyl-2-furanacrylic acid (CHEBI:177978) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

3-[5-[(E)-2-carboxyethenyl]-3,4-dimethyluran-2-yl]propanoic acid