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CHEBI:148896 - β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp

ChEBI IDCHEBI:148896
ChEBI Nameβ-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp
Stars
ASCII Namebeta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp
DefinitionAn amino trisaccharide consisting of 2-acetamido-2-deoxy-β-D-galactopyranose, α-D-galactopyranose and β-D-galactopyranose residues joined in sequence by (1→3) and (1→4) glycosidic bonds.
Last Modified25 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a4-b1_b3-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-12(28)10(26)6(2-22)34-19(9)37-17-11(27)7(3-23)35-20(15(17)31)36-16-8(4-24)33-18(32)14(30)13(16)29/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
InChIKeyCRTJRHPGCOAOQC-MGMAPQDTSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp (CHEBI:148896) has functional parent α-D-Galp-(1→4)-β-D-Galp (CHEBI:59314)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp (CHEBI:148896) is a acetamides (CHEBI:22160)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp (CHEBI:148896) is a amino trisaccharide (CHEBI:59266)
IUPAC Names 
GalNAc(b1-3)Gal(a1-4)b-Gal
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-β-D-galactopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-galacto-hexopyranosyl-(1→3)-α-D-galacto-hexopyranosyl-(1→4)-β-D-galacto-hexopyranoseIUPAC
N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G30239EKGlyTouCan
G30239EKGlyGen