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

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

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ChEBI ID	CHEBI:177978
ChEBI Name	3,4-dimethyl-5-carboxyethyl-2-furanacrylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O5
Net Charge	0
Average Mass	238.239
Monoisotopic Mass	238.08412
SMILES	Cc1c(/C=C/C(=O)O)oc(CCC(=O)O)c1C
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

Species of Metabolite	Component	Source	Comments
Bombyx mori (ncbitaxon:7091)	hemolymph (BTO:0000572)	MetaboLights (MTBLS3247)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
LMFA01150051	LIPID MAPS