CHEBI:71994 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
ChEBI ID CHEBI:71994
ChEBI ASCII Name alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
Definition A branched amino octasaccharide comprising a sequence of α-sialyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, α-D-mannosyl, β-D-mannosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-D-glucosamine residues linked respectively (2→6), (1→4), (1→2), (1→3), (1→4) and (1→4), to the β-D-mannosyl residue of which is also linked (1→6) a further α-D-mannosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C59H98N4O44
Net Charge 0
Average Mass 1567.40980
Monoisotopic Mass 1566.55539
InChI InChI=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)105-49-35(80)25(12-93-54-42(87)39(84)32(77)20(7-65)96-54)100-56(44(49)89)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
InChIKey DHMIFWVNAVOLJS-FKDGGUCMSA-N
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O[C@H]2[C@H](O)[C@@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Roles Classification
Biological Role(s): 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.
(via alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:71994) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:71994) is a amino octasaccharide (CHEBI:71060)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:71994) 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→3)-[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 Sources
α-Neu5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc ChEBI
Mana1-6(Neu5Aca2-6Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAc ChEBI
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine ChEBI
Neu5Acα2-6Galβ1-4GlcNAcβ1-2Manα1-3(Manα1-6)Manβ1-4GlcNAcβ1-4GlcNAc ChEBI
WURCS=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]/1-2-3-4-2-5-6-4/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2 GlyTouCan
Manual Xrefs Databases
G62112AO GlyTouCan
G62112AO GlyGen
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Citation Waiting for Citations Type Source
19443021 PubMed citation Europe PMC
Last Modified
20 April 2021