CHEBI:148586 - α-D-Glcp-(1→4)-[β-D-Glcp-(1→2)]-D-Glcp

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-D-Glcp-(1→4)-[β-D-Glcp-(1→2)]-D-Glcp
ChEBI ID CHEBI:148586
ChEBI ASCII Name alpha-D-Glcp-(1->4)-[beta-D-Glcp-(1->2)]-D-Glcp
Definition A glucotriose that is D-glucopyranose in which the hydroxy groups at positions 2 and 4 have been converted into the corresponding β-D-glucopyranosyl and α-D-glucopyranosyl derivatives, respectively.
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)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
InChIKey GRDHQWBQPQWUOG-FTMDJXBCSA-N
SMILES O([C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C(O[C@@H]1CO)O)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
ChEBI Ontology
Outgoing α-D-Glcp-(1→4)-[β-D-Glcp-(1→2)]-D-Glcp (CHEBI:148586) has functional parent maltose (CHEBI:17306)
α-D-Glcp-(1→4)-[β-D-Glcp-(1→2)]-D-Glcp (CHEBI:148586) has functional parent sophorose (CHEBI:1230)
α-D-Glcp-(1→4)-[β-D-Glcp-(1→2)]-D-Glcp (CHEBI:148586) is a glucotriose (CHEBI:146180)
IUPAC Names
α-D-glucopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→2)]-D-glucopyranose
Glc(b1-2)[Glc(a1-4)]Glc
Synonyms Sources
(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,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
β-D-gluco-hexopyranosyl-(1→2)-[α-D-gluco-hexopyranosyl-(1→4)]-D-gluco-hexopyranose IUPAC
WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2122h-1b_1-5][a2122h-1a_1-5]/1-2-3/a2-b1_a4-c1 SUBMITTER
Manual Xrefs Databases
G09150 KEGG GLYCAN
G23251MK GlyTouCan
G23251MK GlyGen
View more database links
Last Modified
23 May 2020