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

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ChEBI Name 2-O-caffeoylglucarate(2−)
ChEBI ID CHEBI:58157
ChEBI ASCII Name 2-O-caffeoylglucarate(2-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H14O11
Net Charge -2
Average Mass 370.26510
Monoisotopic Mass 370.05471
InChI InChI=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
InChIKey OMIXKOJEIRRAJW-CDEBNWADSA-L
SMILES O[C@@H]([C@H](O)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C([O-])=O)[C@H](O)C([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
2-O-caffeoylglucarate UniProt
2-O-caffeoylglucarate ChEBI
2-O-caffeoylglucarate dianion ChEBI
Last Modified
13 November 2017