3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid (CHEBI:186135)

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CHEBI:186135 - 3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid

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ChEBI ID	CHEBI:186135
ChEBI Name	3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O5
Net Charge	0
Average Mass	238.239
Monoisotopic Mass	238.08412
SMILES	C/C=C/c1oc(CCC(=O)O)c(C(=O)O)c1C
InChI	InChI=1S/C12H14O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)/b4-3+
InChIKey	GTXDMFICGCDJOC-ONEGZZNKSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid (CHEBI:186135) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
2-(2-carboxyethyl)-4-methyl-5-[(E)-prop-1-enyl]uran-3-carboxylic acid

Manual Xrefs	Databases
LMFA01150065	LIPID MAPS
113368405	ChemSpider