EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57426 - sinapoyl (S)-malate(2−)

ChEBI IDCHEBI:57426
ChEBI Namesinapoyl (S)-malate(2−)
Stars
ASCII Namesinapoyl (S)-malate(2-)
DefinitionDicarboxylate anion of sinapic acid (S)-malate ester
Last Modified31 July 2015
DownloadsMolfile
FormulaC15H14O9
Net Charge-2
Average Mass338.268
Monoisotopic Mass338.06488
SMILESCOc1cc(/C=C/C(=O)[O-])cc(OC)c1OC(=O)[C@@H](O)CC(=O)[O-]
InChIInChI=1S/C15H16O9/c1-22-10-5-8(3-4-12(17)18)6-11(23-2)14(10)24-15(21)9(16)7-13(19)20/h3-6,9,16H,7H2,1-2H3,(H,17,18)(H,19,20)/p-2/b4-3+/t9-/m0/s1
InChIKeySVOZVFTXNDIEBH-NWALNABHSA-L
ChEBI Ontology
Outgoing Relation(s)
sinapoyl (S)-malate(2−) (CHEBI:57426) is a dicarboxylic acid dianion (CHEBI:28965)
sinapoyl (S)-malate(2−) (CHEBI:57426) is conjugate base of sinapic acid (S)-malate ester (CHEBI:15596)
Incoming Relation(s)
sinapic acid (S)-malate ester (CHEBI:15596) is conjugate acid of sinapoyl (S)-malate(2−) (CHEBI:57426)
IUPAC Name 
(3S)-4-{4-[(E)-2-carboxylatoethenyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoate
Synonyms  Source
3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)acrylateChEBI
3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)prop-2-enoateChEBI
(3S)-4-{4-[(E)-2-carboxylatovinyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoateChEBI
UniProt Name  Source
sinapoyl (S)-malateUniProt