EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77025 - 3-O-β-D-glucosyl-D-glucuronic acid

Default Structure
ChEBI IDCHEBI:77025
ChEBI Name3-O-β-D-glucosyl-D-glucuronic acid
Stars
ASCII Name3-O-beta-D-glucosyl-D-glucuronic acid
DefinitionA disaccharide consisting β-D-glucosyl and D-glucuronic acid residues joined by a (1→3)-linkage.
Last Modified1 June 2020
SubmitterSteve
DownloadsMolfile
FormulaC12H20O12
Net Charge0
Average Mass356.280
Monoisotopic Mass356.09548
SMILESO=C[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)C(=O)O
WURCSWURCS=2.0/2,2,1/[o2122A][a2122h-1b_1-5]/1-2/a3-b1
InChIInChI=1S/C12H20O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h1,3-10,12,14-20H,2H2,(H,21,22)/t3-,4+,5+,6-,7+,8-,9+,10+,12-/m0/s1
InChIKeyFZIWWMBARQNGJH-YEOGOCOXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-O-β-D-glucosyl-D-glucuronic acid (CHEBI:77025) has functional parent cellobiose (CHEBI:17057)
3-O-β-D-glucosyl-D-glucuronic acid (CHEBI:77025) is a carbohydrate acid (CHEBI:33720)
3-O-β-D-glucosyl-D-glucuronic acid (CHEBI:77025) is a glycosylglucopyranuronic acid (CHEBI:152563)
3-O-β-D-glucosyl-D-glucuronic acid (CHEBI:77025) is conjugate acid of 3-O-β-D-glucosyl-D-glucuronate (CHEBI:76826)
Incoming Relation(s)
3-O-β-D-glucosyl-D-glucuronate (CHEBI:76826) is conjugate base of 3-O-β-D-glucosyl-D-glucuronic acid (CHEBI:77025)
IUPAC Name 
β-D-glucopyranosyl-(1→3)-D-glucuronic acid
Synonyms  Source
3-O-β-D-glucopyranosyl-D-glucuronic acidIUPAC
β-D-glucosyl-(1→3)-D-glucuronic acidChEBI
Registry NumbersSources
Reaxys:23099521Reaxys