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

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ChEBI Name 4-O-β-D-glucosyl-trans-sinapate
ChEBI ID CHEBI:141763
ChEBI ASCII Name 4-O-beta-D-glucosyl-trans-sinapate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C17H21O10
Net Charge -1
Average Mass 385.346
Monoisotopic Mass 385.11402
InChI InChI=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
InChIKey KKLWTTVTWMTNBP-KYXYLJOWSA-M
SMILES C=1(C=C(C=C(C1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)OC)/C=C/C(=O)[O-])OC
ChEBI Ontology
Outgoing 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 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 Sources
4-O-(β-D-glucopyranosyl)-(2E)-sinapate ChEBI
4-O-(β-D-glucosyl)-(2E)-sinapate ChEBI
4-O-(β-D-glucosyl)-trans-sinapate UniProt
O4-(β-D-glucosyl)-(2E)-sinapate ChEBI
Manual Xrefs Databases
1-SINAPOYL-D-GLUCOSE MetaCyc
C02919 KEGG COMPOUND
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Citation Waiting for Citations Type Source
11042211 PubMed citation SUBMITTER
Last Modified
11 November 2019