CHEBI:90169 - α-Neup5Ac-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc

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ChEBI Name α-Neup5Ac-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc
ChEBI ID CHEBI:90169
ChEBI ASCII Name alpha-Neup5Ac-(2->8)-alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-D-GlcpNAc
Definition A linear amino tetrasaccharide comprising an α-N-acetylneuraminyl residue, an α-N-glycoloylneuraminyl residue, 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 C36H59N3O28
Net Charge 0
Average Mass 981.858
Monoisotopic Mass 981.32851
InChI InChI=1S/C36H59N3O28/c1-10(45)37-19-12(47)3-35(33(57)58,65-28(19)22(51)14(49)5-40)64-16(7-42)24(53)29-20(39-18(50)9-44)13(48)4-36(66-29,34(59)60)67-30-23(52)15(6-41)62-32(26(30)55)63-27-17(8-43)61-31(56)21(25(27)54)38-11(2)46/h12-17,19-32,40-44,47-49,51-56H,3-9H2,1-2H3,(H,37,45)(H,38,46)(H,39,50)(H,57,58)(H,59,60)/t12-,13-,14+,15+,16+,17+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29+,30-,31?,32-,35+,36-/m0/s1
InChIKey LFSRTBCQYLOLDP-NXQFGNLWSA-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(CO)=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-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:90169) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:90169) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-3,5-dideoxy-5-(glycoloylamino)-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-glycoloylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine ChEBI
α-Neu5Ac-(2→8)-α-Neu5Gc-(2→3)-β-D-Gal-(1→4)-D-GlcNAc ChEBI
N-acetyl-α-neuraminyl-(2→8)-N-glycoloyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl--D-glucosamine ChEBI
Neu5Aca2-8Neu5Gca2-3Galb1-4GlcNAc ChEBI
Neu5Acα2-8Neu5Gcα2-3Galβ1-4GlcNAc ChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-3,5-dideoxy-5-[(2-hydroxyacetyl)amino]-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranose ChEBI
Citations Waiting for Citations Types Sources
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
27 February 2024