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CHEBI:147176 - α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp

ChEBI IDCHEBI:147176
ChEBI Nameα-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Namealpha-D-GalpNAc-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp
DefinitionAn amino pentasaccharide consisting of 2-acetamido-2-deoxy-α-D-galactopyranosyl, β-D-galactopyranosyl, 2-acetamido-2-deoxy-β-D-glucopyranosyl, β-D-galactopyranosyl and D-glucopyranose residues joined in sequence by (1→3), (1→3), (1→3) and (1→4) glycosidic bonds.
Last Modified17 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O26
Net Charge0
Average Mass910.826
Monoisotopic Mass910.32778
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](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-4/a4-b1_b3-c1_c3-d1_d3-e1
InChIInChI=1S/C34H58N2O26/c1-8(42)35-15-21(48)17(44)10(3-37)55-31(15)61-28-19(46)13(6-40)58-34(25(28)52)60-27-16(36-9(2)43)32(56-11(4-38)18(27)45)62-29-20(47)12(5-39)57-33(24(29)51)59-26-14(7-41)54-30(53)23(50)22(26)49/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17+,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28+,29+,30?,31-,32+,33+,34+/m1/s1
InChIKeyZDKGFLQZHPAAIN-UMGYHRMMSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:147176) has functional parent β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc (CHEBI:30248)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:147176) is a acetamides (CHEBI:22160)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:147176) is a amino pentasaccharide (CHEBI:59268)
IUPAC Names 
GalNAc(a1-3)Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)Glc
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-α-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→4)-D-gluco-hexopyranoseIUPAC
N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G10528MRGlyTouCan
G10528MRGlyGen