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CHEBI:68426 - β-D-Galp-(1→4)-β-D-Galp-(1→3)-α-D-GalpNAc

Default Structure
ChEBI IDCHEBI:68426
ChEBI Nameβ-D-Galp-(1→4)-β-D-Galp-(1→3)-α-D-GalpNAc
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-Galp-(1->3)-alpha-D-GalpNAc
DefinitionA linear amino trisaccharide comprised of two β(1→4)-linked galactose residues linked β(1→3) to N-acetyl-α-D-galactosamine.
Last Modified13 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2/a3-b1_b4-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-17(11(27)7(3-23)33-18(9)32)37-20-15(31)13(29)16(8(4-24)35-20)36-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+,19+,20+/m1/s1
InChIKeyPQZXWXWLEXPPIT-VCSRLSTLSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-Galp-(1→3)-α-D-GalpNAc (CHEBI:68426) is a amino trisaccharide (CHEBI:59266)
β-D-Galp-(1→4)-β-D-Galp-(1→3)-α-D-GalpNAc (CHEBI:68426) is a galactosamine oligosaccharide (CHEBI:22484)
IUPAC Name 
β-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
Galβ1-4Galβ1-3GalNAcαChEBI
β-D-Gal-(1→4)-β-D-Gal-(1→3)-α-D-GalNAcChEBI
β-D-galactosyl-(1→4)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosamineChEBI
Manual XrefsDatabases
G90719NYGlyGen
G90719NYGlyTouCan
Citations