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CHEBI:71496 - α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-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:71496
ChEBI Nameα-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-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
Stars
ASCII Namealpha-D-Manp-(1->3)-[alpha-Neup5Ac-(2->6)-beta-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 branched amino octasaccharide comprised of a sequence of α-D-mannose, β-D-mannose, N-acetyl-β-D-glucosamine and N-acetyl-D-glucosamine residues linked (1→3), (1→4) and (1→4), to the β-D-mannose of which is (1→6)-linked a tetrasaccharide branch comprising N-acetyl-α-neuraminose, β-D-galactose, N-acetyl-β-D-glucosamine and α-D-mannose residues linked sequentially (2→6), (1→4) and (1→2).
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC59H98N4O44
Net Charge0
Average Mass1567.417
Monoisotopic Mass1566.55539
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]4[C@@H](OC[C@H]5O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]7[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]7CO)O[C@@H]6CO)[C@@H](O)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/6,8,7/[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][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-e1_e2-f1_f4-g1_g6-h2
InChIInChI=1S/C59H98N4O44/c1-14(70)60-27-18(74)5-59(58(91)92,107-48(27)31(76)19(75)6-64)94-13-26-34(79)40(85)43(88)55(101-26)103-46-23(10-68)99-53(30(38(46)83)63-17(4)73)106-50-41(86)33(78)21(8-66)97-57(50)93-12-25-35(80)49(105-54-42(87)39(84)32(77)20(7-65)96-54)44(89)56(100-25)104-47-24(11-69)98-52(29(37(47)82)62-16(3)72)102-45-22(9-67)95-51(90)28(36(45)81)61-15(2)71/h18-57,64-69,74-90H,5-13H2,1-4H3,(H,60,70)(H,61,71)(H,62,72)(H,63,73)(H,91,92)/t18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44-,45+,46+,47+,48+,49-,50-,51?,52-,53-,54+,55-,56-,57-,59+/m0/s1
InChIKeyBWIHIQLXLCNMEI-GPHHWLJMSA-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)
α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-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:71496) has role epitope (CHEBI:53000)
α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-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:71496) is a amino octasaccharide (CHEBI:71060)
α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-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:71496) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)-[α-D-mannopyranosyl-(1→3)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-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
α-D-mannosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)-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-β-D-glucosamineChEBI
Manα1-3(Neu5Acα2-6Galβ1-4GlcNAcβ1-2Manα1-6)Manβ1-4GlcNAcβ1-4GlcNAcChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-2Mana1-6(Mana1-3)Manb1-4GlcNAcb1-4GlcNAcChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→6)-O-[α-D-mannopyranosyl-(1→3)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
Manual XrefsDatabases
G31865AGGlyTouCan
G31865AGGlyGen
Citations