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CHEBI:141763 - 4-O-β-D-glucosyl-trans-sinapate

ChEBI IDCHEBI:141763
ChEBI Name4-O-β-D-glucosyl-trans-sinapate
Stars
ASCII Name4-O-beta-D-glucosyl-trans-sinapate
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 4-O-β-D-glucosyl-trans-sinapic acid. The major species at pH 7.3.
Last Modified11 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H21O10
Net Charge-1
Average Mass385.345
Monoisotopic Mass385.11402
SMILESCOc1cc(/C=C/C(=O)[O-])cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/p-1/b4-3+/t11-,13-,14+,15-,17+/m1/s1
InChIKeyKKLWTTVTWMTNBP-KYXYLJOWSA-M
ChEBI Ontology
Outgoing Relation(s)
4-O-β-D-glucosyl-trans-sinapate (CHEBI:141763) is a monocarboxylic acid anion (CHEBI:35757)
4-O-β-D-glucosyl-trans-sinapate (CHEBI:141763) is conjugate base of 4-O-β-D-glucosyl-trans-sinapic acid (CHEBI:145341)
Incoming Relation(s)
4-O-β-D-glucosyl-trans-sinapic acid (CHEBI:145341) is conjugate acid of 4-O-β-D-glucosyl-trans-sinapate (CHEBI:141763)
IUPAC Name 
(2E)-3-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylate
Synonyms  Source
4-O-(β-D-glucosyl)-(2E)-sinapateChEBI
O4-(β-D-glucosyl)-(2E)-sinapateChEBI
4-O-(β-D-glucopyranosyl)-(2E)-sinapateChEBI
UniProt Name  Source
4-O-(β-D-glucosyl)-trans-sinapateUniProt
Manual XrefsDatabases
C02919KEGG COMPOUND
1-SINAPOYL-D-GLUCOSEMetaCyc
Citations