3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid (CHEBI:177113)

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CHEBI:177113 - 3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid

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ChEBI ID	CHEBI:177113
ChEBI Name	3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid
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Submitter	MetaboLights
Downloads	Molfile

Formula	C14H20O6
Net Charge	0
Average Mass	284.308
Monoisotopic Mass	284.12599
SMILES	Cc1c(CCCC(C)O)oc(CCC(=O)O)c1C(=O)O
InChI	InChI=1S/C14H20O6/c1-8(15)4-3-5-10-9(2)13(14(18)19)11(20-10)6-7-12(16)17/h8,15H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKey	AVEHUFGEHJWCFG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Bos grunniens (ncbitaxon:30521)	subcutaneous adipose tissue (BTO:0004042)	Article

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-(4-hydroxypentyl)-2-furanpropanoic acid (CHEBI:177113) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
2-(2-carboxyethyl)-5-(4-hydroxypentyl)-4-methyluran-3-carboxylic acid

Manual Xrefs	Databases
LMFA01150068	LIPID MAPS