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CHEBI:71040 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:71040
ChEBI Nameβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
DefinitionA linear amino hexasaccharide comprised of β-D-galactose, N-acetyl-β-D-glucosamine, α-D-mannose, β-D-mannose, N-acetyl-β-D-glucosamine and N-acetyl-D-glucosamine residues linked sequentially (1→4), (1→2), (1→6), (1→4) and (1→4).
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H71N3O31
Net Charge0
Average Mass1114.020
Monoisotopic Mass1113.40715
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,6,5/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5/a4-b1_b4-c1_c6-d1_d2-e1_e4-f1
InChIInChI=1S/C42H71N3O31/c1-10(51)43-19-25(57)33(15(6-48)67-37(19)65)73-38-20(44-11(2)52)26(58)35(16(7-49)70-38)75-41-32(64)29(61)24(56)18(72-41)9-66-42-36(30(62)23(55)14(5-47)69-42)76-39-21(45-12(3)53)27(59)34(17(8-50)71-39)74-40-31(63)28(60)22(54)13(4-46)68-40/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37?,38+,39+,40+,41+,42+/m1/s1
InChIKeyPZFWYOPBAQHGPV-HLGGQBTFSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:71040) has role epitope (CHEBI:53000)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:71040) is a amino hexasaccharide (CHEBI:61855)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:71040) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
Galβ1-4GlcNAcβ1-2Manα1-6Manβ1-4GlcNAcβ1-4GlcNAcChEBI
β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAcChEBI
β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamineChEBI
Galb1-4GlcNAcb1-2Mana1-6Manb1-4GlcNAcb1-4GlcNAcChEBI
O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→6)-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
Manual XrefsDatabases
G97894OWGlyTouCan
G97894OWGlyGen
Citations