CHEBI:57680 - sinapoyltartronate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sinapoyltartronate(2−)
ChEBI ID CHEBI:57680
ChEBI ASCII Name sinapoyltartronate(2-)
Definition Dicarboxylate anion of sinapoyltartronic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H12O9
Net Charge -2
Average Mass 324.23970
Monoisotopic Mass 324.04923
InChI InChI=1S/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/p-2/b4-3+
InChIKey BILXTXFCLYPNMR-ONEGZZNKSA-L
SMILES COc1cc(cc(OC)c1O)\C=C\C(=O)OC(C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing sinapoyltartronate(2−) (CHEBI:57680) is a dicarboxylic acid dianion (CHEBI:28965)
sinapoyltartronate(2−) (CHEBI:57680) is conjugate base of sinapoyltartronic acid (CHEBI:16210)
Incoming sinapoyltartronic acid (CHEBI:16210) is conjugate acid of sinapoyltartronate(2−) (CHEBI:57680)
IUPAC Name
[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propanedioate
Synonyms Sources
sinapoyltartronate UniProt
sinapoyltartronate dianion ChEBI
Last Modified
24 February 2015