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CHEBI:87452 - β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:87452
ChEBI Nameβ-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
DefinitionA linear amino pentasaccharide consisting of β-D-galactose, N-acetyl-β-D-galactosamine, α-D-galactose, βD-galactose and N-acetyl-β-D-glucosamine units connected via sequential (1→3), (1→3), (1→4) and (1→4) linkages.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H61N3O26
Net Charge0
Average Mass951.879
Monoisotopic Mass951.35433
SMILESCC(=O)N[C@@H]1[C@@H](O)[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]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a4-b1_b4-c1_c3-d1_d3-e1
InChIInChI=1S/C36H61N3O26/c1-9(45)37-17-24(52)28(15(7-43)57-32(17)56)62-35-26(54)25(53)29(16(8-44)61-35)63-36-27(55)31(22(50)14(6-42)60-36)65-34-19(39-11(3)47)30(21(49)13(5-41)59-34)64-33-18(38-10(2)46)23(51)20(48)12(4-40)58-33/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31+,32-,33-,34+,35+,36-/m1/s1
InChIKeyVCSAYQOHIUQLJO-QQRWLMBBSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:87452) is a amino pentasaccharide (CHEBI:59268)
β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:87452) is a galactosamine oligosaccharide (CHEBI:22484)
β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:87452) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
β-D-Gal-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-GlcNAcChEBI
GalNAca1-3GalNAcb1-3Gala1-4Galb1-4GlcNAcbChEBI
N-acetyl-α-D-galactosaminyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
GalNAcα1-3GalNAcβ1-3Galα1-4Galβ1-4GlcNAcβChEBI
O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→3)-O-α-D-galactopyranosyl-(1→4)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoseChEBI
Manual XrefsDatabases
G08157XKGlyTouCan
G08157XKGlyGen
Citations