CHEBI:90178 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc
ChEBI ID CHEBI:90178
ChEBI ASCII Name alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-D-GlcpNAc
Definition A linear amino tetrasaccharide comprising two N-acetyl-α-neuraminyl residues, a β-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2→8), (2→3) and (1→4).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H59N3O27
Net Charge 0
Average Mass 965.859
Monoisotopic Mass 965.33359
InChI InChI=1S/C36H59N3O27/c1-10(44)37-19-13(47)4-35(33(56)57,64-28(19)22(50)15(49)6-40)63-17(8-42)24(52)29-20(38-11(2)45)14(48)5-36(65-29,34(58)59)66-30-23(51)16(7-41)61-32(26(30)54)62-27-18(9-43)60-31(55)21(25(27)53)39-12(3)46/h13-32,40-43,47-55H,4-9H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,56,57)(H,58,59)/t13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29+,30-,31?,32-,35+,36-/m0/s1
InChIKey KDBMBIBKXFYIJT-FQBRDTKDSA-N
SMILES [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)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)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O
ChEBI Ontology
Outgoing α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:90178) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:90178) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms Sources
α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine ChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-D-GlcNAc ChEBI
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl--D-glucosamine ChEBI
Neu5Aca2-8Neu5Aca2-3Galb1-4GlcNAc ChEBI
Neu5Acα2-8Neu5Acα2-3Galβ1-4GlcNAc ChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranose ChEBI
WURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-3/a4-b1_b3-c2_c8-d2 GlyTouCan
Manual Xrefs Databases
G84350SH GlyTouCan
G84350SH GlyGen
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Citations Waiting for Citations Types Sources
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
27 February 2024