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CHEBI:146751 - β-D-Galp-(1→4)-β-D-Glcp-(1→6)-α-D-GalpNAc

ChEBI IDCHEBI:146751
ChEBI Nameβ-D-Galp-(1→4)-β-D-Glcp-(1→6)-α-D-GalpNAc
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-alpha-D-GalpNAc
DefinitionAn amino trisaccharide consisting of β-lactose and 2-acetamido-2-deoxy-α-D-galactopyranose joined by a (1→6) glycosidic bond.
Last Modified19 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[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)O[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5][a2112h-1b_1-5]/1-2-3/a6-b1_b4-c1
InChIInChI=1S/C20H35NO16/c1-5(24)21-9-12(27)11(26)8(34-18(9)32)4-33-19-16(31)14(29)17(7(3-23)36-19)37-20-15(30)13(28)10(25)6(2-22)35-20/h6-20,22-23,25-32H,2-4H2,1H3,(H,21,24)/t6-,7-,8-,9-,10+,11+,12-,13+,14-,15-,16-,17-,18+,19-,20+/m1/s1
InChIKeyYRSGVLKUPIDFEV-ZZVTUYAISA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-α-D-GalpNAc (CHEBI:146751) has functional parent β-lactose (CHEBI:36218)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-α-D-GalpNAc (CHEBI:146751) is a acetamides (CHEBI:22160)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-α-D-GalpNAc (CHEBI:146751) is a amino trisaccharide (CHEBI:59266)
IUPAC Names 
Gal(b1-4)Glc(b1-6)a-GalNAc
β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
β-D-galacto-hexopyranosyl-(1→4)-β-D-gluco-hexopyranosyl-(1→6)-2-acetamido-2-deoxy-α-D-galacto-hexopyranoseIUPAC
N-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G04829KAGlyTouCan
G04829KAGlyGen