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

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ChEBI Name 3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid
ChEBI ID CHEBI:177113
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O6
Net Charge 0
Average Mass 284.308
Monoisotopic Mass 284.12599
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
SMILES O1C(CCCC(O)C)=C(C(=C1CCC(O)=O)C(O)=O)C
Metabolite of Species Details
Bos grunniens (NCBI:txid30521) Found in subcutaneous adipose tissue (BTO:0004042).
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LMFA01150068 LIPID MAPS
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