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CHEBI:149629 - phenguignardate

ChEBI IDCHEBI:149629
ChEBI Namephenguignardate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of phenguignardic acid, obtained from the derotonation of the carboxy group. Major species at pH 7.3.
Last Modified19 June 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H13O5
Net Charge-1
Average Mass309.297
Monoisotopic Mass309.07685
SMILESO=C1O[C@@](Cc2ccccc2)(C(=O)[O-])O/C1=C\c1ccccc1
InChIInChI=1S/C18H14O5/c19-16-15(11-13-7-3-1-4-8-13)22-18(23-16,17(20)21)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)/p-1/b15-11-/t18-/m0/s1
InChIKeyOLOMGTHWMBYIQH-RXBGNRNISA-M
ChEBI Ontology
Outgoing Relation(s)
phenguignardate (CHEBI:149629) is a monocarboxylic acid anion (CHEBI:35757)
phenguignardate (CHEBI:149629) is conjugate base of phenguignardic acid (CHEBI:155895)
Incoming Relation(s)
phenguignardic acid (CHEBI:155895) is conjugate acid of phenguignardate (CHEBI:149629)
IUPAC Name 
(2S,4Z)-2-benzyl-4-benzylidene-5-oxo-1,3-dioxolane-2-carboxylate
Synonyms  Source
(+)-phenguignardateChEBI
phenguignardic acid(1−)ChEBI
UniProt Name  Source
phenguignardateUniProt
Citations