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CHEBI:148293 - β-D-Glcp-(1→4)-α-D-Glcp-(1→1)-α-D-Glcp

ChEBI IDCHEBI:148293
ChEBI Nameβ-D-Glcp-(1→4)-α-D-Glcp-(1→1)-α-D-Glcp
Stars
ASCII Namebeta-D-Glcp-(1->4)-alpha-D-Glcp-(1->1)-alpha-D-Glcp
DefinitionA glucotriose consisting of a β-D-glucopyranose residue and two α-D-glucopyranose residues joined in sequence by (1→4) and (1→1) glycosidic bonds.
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](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)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/a1-b1_b4-c1
InChIInChI=1S/C18H32O16/c19-1-4-7(22)9(24)12(27)16(30-4)33-15-6(3-21)32-18(14(29)11(15)26)34-17-13(28)10(25)8(23)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1
InChIKeyCAKGLMPBYAPFCR-AASWFQCYSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glcp-(1→4)-α-D-Glcp-(1→1)-α-D-Glcp (CHEBI:148293) is a glucotriose (CHEBI:146180)
β-D-Glcp-(1→4)-α-D-Glcp-(1→1)-α-D-Glcp (CHEBI:148293) is a glycosyl glycoside derivative (CHEBI:63356)
IUPAC Names 
Glc(b1-4)Glc(a1-1a)Glc
α-D-glucopyranosyl β-D-glucopyranosyl-(1→4)-α-D-glucopyranoside
Synonyms  Source
α-D-gluco-hexopyranosyl β-D-gluco-hexopyranosyl-(1→4)-α-D-gluco-hexopyranosideIUPAC
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(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
G20789WJGlyTouCan
G03501KEGG GLYCAN
G20789WJGlyGen