CHEBI:72545 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc

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ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc
ChEBI ID CHEBI:72545
ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-GalpNAc
Definition A linear amino tetrasaccharide comprising α-sialyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-D-galactosamine residues in a (2→3), (1→4) and (1→3) sequence.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H55N3O24
Net Charge 0
Average Mass 877.800
Monoisotopic Mass 877.31755
InChI InChI=1S/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-22(48)15(7-39)55-31(24(28)50)57-25-16(8-40)56-30(18(23(25)49)35-10(2)42)58-26-19(36-11(3)43)29(51)54-14(6-38)21(26)47/h12-31,37-40,44-51H,4-8H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+,28-,29?,30-,31-,33-/m0/s1
InChIKey CZMMTWLCOJJHAT-NOZVAABBSA-N
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)O)NC(C)=O)O[C@@H]4[C@H](C(O[C@@H]([C@@H]4O)CO)O)NC(C)=O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:72545) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:72545) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:72545) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:72545) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactopyranose
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)GalNAc
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galacto-hexopyranose IUPAC
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-D-GalNAc ChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-galactosamine ChEBI
Neu5Aca2-3Galb1-4GlcNAcb1-3GalNAc ChEBI
NeuAcα2-3Galβ1-4GlcNAcβ1-3GalNAc ChEBI
WURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_b4-c1_c3-d2 GlyTouCan
Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
18 November 2020