EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:147943 - β-D-Glcp-(1→2)-[β-D-Glcp-(1→6)]-D-Glcp

ChEBI IDCHEBI:147943
ChEBI Nameβ-D-Glcp-(1→2)-[β-D-Glcp-(1→6)]-D-Glcp
Stars
ASCII Namebeta-D-Glcp-(1->2)-[beta-D-Glcp-(1->6)]-D-Glcp
DefinitionA glucotriose that is D-glucopyranose in which the hydroxy groups at positions 2 and 6 have each been converted into the corresponding β-D-glucopyranosyl derivatives.
Last Modified11 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H32O16
Net Charge0
Average Mass504.438
Monoisotopic Mass504.16903
SMILESOC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2/a2-b1_a6-c1
InChIInChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)17(32-4)30-3-6-9(23)12(26)15(16(29)31-6)34-18-14(28)11(25)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16?,17-,18+/m1/s1
InChIKeySQSMTPZRZXIOMR-YJPMQLMMSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glcp-(1→2)-[β-D-Glcp-(1→6)]-D-Glcp (CHEBI:147943) has functional parent gentiobiose (CHEBI:28066)
β-D-Glcp-(1→2)-[β-D-Glcp-(1→6)]-D-Glcp (CHEBI:147943) has functional parent sophorose (CHEBI:1230)
β-D-Glcp-(1→2)-[β-D-Glcp-(1→6)]-D-Glcp (CHEBI:147943) is a glucotriose (CHEBI:146180)
IUPAC Names 
Glc(b1-2)[Glc(b1-6)]Glc
β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→6)]-D-glucopyranose
Synonyms  Source
β-D-gluco-hexopyranosyl-(1→2)-[β-D-gluco-hexopyranosyl-(1→6)]-D-gluco-hexopyranoseIUPAC
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triolIUPAC
Manual XrefsDatabases
G12770GAGlyTouCan
G00914KEGG GLYCAN
G12770GAGlyGen