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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-Glcp-(1→4)-α-D-Glcp-(1→1)-α-D-Glcp
ChEBI ID CHEBI:148293
ChEBI ASCII Name beta-D-Glcp-(1->4)-alpha-D-Glcp-(1->1)-alpha-D-Glcp
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C18H32O16
Net Charge 0
Average Mass 504.438
Monoisotopic Mass 504.16903
InChI InChI=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
InChIKey CAKGLMPBYAPFCR-AASWFQCYSA-N
SMILES O([C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
ChEBI Ontology
Outgoing 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
α-D-glucopyranosyl β-D-glucopyranosyl-(1→4)-α-D-glucopyranoside
Glc(b1-4)Glc(a1-1a)Glc
Synonyms Sources
(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-triol IUPAC
α-D-gluco-hexopyranosyl β-D-gluco-hexopyranosyl-(1→4)-α-D-gluco-hexopyranoside IUPAC
WURCS=2.0/2,3,2/[a2122h-1a_1-5][a2122h-1b_1-5]/1-1-2/a1-b1_b4-c1 SUBMITTER
Manual Xrefs Databases
G03501 KEGG GLYCAN
G20789WJ GlyGen
G20789WJ GlyTouCan
View more database links
Last Modified
12 May 2020