EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:145602 - β-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-β-D-Glcp

ChEBI IDCHEBI:145602
ChEBI Nameβ-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-β-D-Glcp
Stars
ASCII Namebeta-D-Glcp-(1->2)-[beta-D-Glcp-(1->4)]-beta-D-Glcp
DefinitionA glucotriose that is β-D-glucose in which the hydroxy groups at positions 2 and 4 have each been converted to the corresponding β-D-glucoside.
Last Modified14 February 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H32O16
Net Charge0
Average Mass504.438
Monoisotopic Mass504.16903
SMILESOC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a2-b1_a4-c1
InChIInChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)30-16(29)15(13(14)28)34-18-12(27)10(25)8(23)5(2-20)32-18/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13+,14-,15-,16-,17+,18+/m1/s1
InChIKeyGRDHQWBQPQWUOG-VTPLCQMRSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-β-D-Glcp (CHEBI:145602) is a glucotriose (CHEBI:146180)
β-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-β-D-Glcp (CHEBI:145602) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranose
Synonyms  Source
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolIUPAC
Glc(b1-2)[Glc(b1-4)]b-GlcIUPAC
Manual XrefsDatabases
G30567WWGlyTouCan
G30567WWGlyGen