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CHEBI:146084 - β-D-GlcNAc-(1→6)-[β-D-Galp-(1→3)]-β-D-GalpNAc-(1→3)-D-Galp

ChEBI IDCHEBI:146084
ChEBI Nameβ-D-GlcNAc-(1→6)-[β-D-Galp-(1→3)]-β-D-GalpNAc-(1→3)-D-Galp
Stars
ASCII Namebeta-D-GlcNAc-(1->6)-[beta-D-Galp-(1->3)]-beta-D-GalpNAc-(1->3)-D-Galp
DefinitionAn amino tetrasaccharide that is β-D-Galp-β-D-GalpNAc-D-Glcp in which the acetaminogalactosyl group has undergone formal glycosylation at position 6 by a β-D-acetaminogalactopyranosyl group.
Last Modified20 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H48N2O21
Net Charge0
Average Mass748.685
Monoisotopic Mass748.27496
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2112h-1x_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4/a3-b1_b3-c1_b6-d1
InChIInChI=1S/C28H48N2O21/c1-7(34)29-13-19(40)15(36)9(3-31)47-26(13)45-6-12-18(39)23(50-28-21(42)20(41)16(37)10(4-32)48-28)14(30-8(2)35)27(49-12)51-24-17(38)11(5-33)46-25(44)22(24)43/h9-28,31-33,36-44H,3-6H2,1-2H3,(H,29,34)(H,30,35)/t9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20+,21-,22-,23-,24+,25?,26-,27+,28+/m1/s1
InChIKeySTDFILLDLOFUOP-ANYDKXLUSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcNAc-(1→6)-[β-D-Galp-(1→3)]-β-D-GalpNAc-(1→3)-D-Galp (CHEBI:146084) is a acetamides (CHEBI:22160)
β-D-GlcNAc-(1→6)-[β-D-Galp-(1→3)]-β-D-GalpNAc-(1→3)-D-Galp (CHEBI:146084) is a amino tetrasaccharide (CHEBI:59412)
β-D-GlcNAc-(1→6)-[β-D-Galp-(1→3)]-β-D-GalpNAc-(1→3)-D-Galp (CHEBI:146084) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names 
Gal(b1-3)[GlcNAc(b1-6)]GalNAc(b1-3)Gal
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-D-galactopyranose
Synonyms  Source
β-D-galacto-hexopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-galacto-hexopyranosyl-(1→3)-D-galacto-hexopyranoseIUPAC
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G00558IWGlyTouCan
G06684KEGG GLYCAN
G00558IWGlyGen