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CHEBI:148478 - α-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-α-D-Glcp

ChEBI IDCHEBI:148478
ChEBI Nameα-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-α-D-Glcp
Stars
ASCII Namealpha-D-Glcp-(1->2)-[beta-D-Glcp-(1->4)]-alpha-D-Glcp
DefinitionA glucotriose that is α-D-glucopyranose in which the hydroxy groups at positions 2 and 4 have been converted to the corresponding α-D-glucopyranosyl and β-D-glucopyranosyl derivatives, respectively.
Last Modified12 May 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](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2122h-1a_1-5][a2122h-1b_1-5]/1-1-2/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-XLYJNUTPSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-α-D-Glcp (CHEBI:148478) has functional parent α-D-Glcp-(1→2)-α-D-Glcp (CHEBI:77436)
α-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-α-D-Glcp (CHEBI:148478) has functional parent α-cellobiose (CHEBI:28676)
α-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-α-D-Glcp (CHEBI:148478) is a glucotriose (CHEBI:146180)
IUPAC Names 
Glc(a1-2)[Glc(b1-4)]a-Glc
α-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-D-glucopyranose
Synonyms  Source
α-D-gluco-hexopyranosyl-(1→2)-[β-D-gluco-hexopyranosyl-(1→4)]-α-D-gluco-hexopyranoseIUPAC
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolIUPAC
Manual XrefsDatabases
G25582HXGlyTouCan
G25582HXGlyGen