4-methyl-5-carboxyethyl-2-furanacrylic acid (CHEBI:168027)

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CHEBI:168027 - 4-methyl-5-carboxyethyl-2-furanacrylic acid

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ChEBI ID	CHEBI:168027
ChEBI Name	4-methyl-5-carboxyethyl-2-furanacrylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H12O5
Net Charge	0
Average Mass	224.212
Monoisotopic Mass	224.06847
SMILES	Cc1cc(/C=C/C(=O)O)oc1CCC(=O)O
InChI	InChI=1S/C11H12O5/c1-7-6-8(2-4-10(12)13)16-9(7)3-5-11(14)15/h2,4,6H,3,5H2,1H3,(H,12,13)(H,14,15)/b4-2+
InChIKey	XWVYTGBODUKBFE-DUXPYHPUSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	4-methyl-5-carboxyethyl-2-furanacrylic acid (CHEBI:168027) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
3-[5-[(E)-2-carboxyethenyl]-3-methyluran-2-yl]propanoic acid

Manual Xrefs	Databases
LMFA01150052	LIPID MAPS