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CHEBI:146054 - α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:146054
ChEBI Nameα-D-Glcp-(1→4)-α-D-Glcp-(1→4)-β-D-Glcp
Stars
ASCII Namealpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-beta-D-Glcp
DefinitionA glucotriose consisting of two α-D-glucose residues and a β-D-glucose at the reducing end joined in sequence by (1→4) glycosidic linkages.
Last Modified8 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]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2122h-1b_1-5][a2122h-1a_1-5]/1-2-2/a4-b1_b4-c1
InChIInChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-/m1/s1
InChIKeyFYGDTMLNYKFZSV-WUZXSGHDSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-β-D-Glcp (CHEBI:146054) is a D-Glcp-(1→4)-α-D-Glcp-(1→4)-β-D-Glcp (CHEBI:147059)
α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-β-D-Glcp (CHEBI:146054) is a glucotriose (CHEBI:146180)
IUPAC Names 
Glc(a1-4)Glc(a1-4)b-Glc
α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
α-D-gluco-hexopyranosyl-(1→4)-α-D-gluco-hexopyranosyl-(1→4)-β-D-gluco-hexopyranoseIUPAC
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolIUPAC
4-O-[4-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]-β-D-glucopyranoseChEBI
Manual XrefsDatabases
G00395FSGlyTouCan
G00395FSGlyGen