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CHEBI:58157 - 2-O-caffeoylglucarate(2−)

ChEBI IDCHEBI:58157
ChEBI Name2-O-caffeoylglucarate(2−)
Stars
ASCII Name2-O-caffeoylglucarate(2-)
DefinitionA dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of 2-O-caffeoylglucaric acid; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC15H14O11
Net Charge-2
Average Mass370.266
Monoisotopic Mass370.05471
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-]
InChIInChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/p-2/b4-2+/t10-,11-,12-,13+/m0/s1
InChIKeyOMIXKOJEIRRAJW-CDEBNWADSA-L
ChEBI Ontology
Outgoing Relation(s)
2-O-caffeoylglucarate(2−) (CHEBI:58157) is a carbohydrate acid derivative anion (CHEBI:63551)
2-O-caffeoylglucarate(2−) (CHEBI:58157) is a dicarboxylic acid dianion (CHEBI:28965)
2-O-caffeoylglucarate(2−) (CHEBI:58157) is conjugate base of 2-O-caffeoylglucaric acid (CHEBI:17470)
Incoming Relation(s)
2-O-caffeoylglucaric acid (CHEBI:17470) is conjugate acid of 2-O-caffeoylglucarate(2−) (CHEBI:58157)
IUPAC Name 
2-O-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-D-glucarate
Synonyms  Source
2-O-caffeoylglucarateChEBI
2-O-caffeoylglucarate dianionChEBI
UniProt Name  Source
2-O-caffeoylglucarateUniProt