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CHEBI:194524 - 3-carboxy-4-methyl-5-propyl-2-furanpropionate(2−)

ChEBI IDCHEBI:194524
ChEBI Name3-carboxy-4-methyl-5-propyl-2-furanpropionate(2−)
Stars
ASCII Name3-carboxy-4-methyl-5-propyl-2-furanpropionate(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC12H14O5
Net Charge-2
Average Mass238.239
Monoisotopic Mass238.08522
SMILESCCCc1oc(CCC(=O)[O-])c(C(=O)[O-])c1C
InChIInChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)/p-2
InChIKeyWMCQWXZMVIETAO-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
3-carboxy-4-methyl-5-propyl-2-furanpropionate(2−) (CHEBI:194524) is a dicarboxylic acid dianion (CHEBI:28965)
3-carboxy-4-methyl-5-propyl-2-furanpropionate(2−) (CHEBI:194524) is conjugate base of 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254)
Incoming Relation(s)
2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) is conjugate acid of 3-carboxy-4-methyl-5-propyl-2-furanpropionate(2−) (CHEBI:194524)
UniProt Name  Source
3-carboxy-4-methyl-5-propyl-2-furanpropanoateUniProt
Citations