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CHEBI:85890 - α-Neup5Gc-(2→8)-α-Neup5Gc-(2→6)-β-D-Galp-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:85890
ChEBI Nameα-Neup5Gc-(2→8)-α-Neup5Gc-(2→6)-β-D-Galp-(1→4)-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Gc-(2->8)-alpha-Neup5Gc-(2->6)-beta-D-Galp-(1->4)-D-GlcpNAc
DefinitionA linear amino tetrasaccharide comprising two α-N-glycoloylneuraminyl residues, a β-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2→8), (2→6) and (1→4).
Last Modified26 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H59N3O29
Net Charge0
Average Mass997.860
Monoisotopic Mass997.32342
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@]2([H])O[C@@](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(=O)CO)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO
InChIInChI=1S/C36H59N3O29/c1-10(45)37-21-25(54)28(15(6-42)63-31(21)57)65-32-27(56)26(55)23(52)16(64-32)9-62-35(33(58)59)2-11(46)20(39-18(50)8-44)30(67-35)24(53)14(5-41)66-36(34(60)61)3-12(47)19(38-17(49)7-43)29(68-36)22(51)13(48)4-40/h11-16,19-32,40-44,46-48,51-57H,2-9H2,1H3,(H,37,45)(H,38,49)(H,39,50)(H,58,59)(H,60,61)/t11-,12-,13+,14+,15+,16+,19+,20+,21+,22+,23-,24+,25+,26-,27+,28+,29+,30+,31?,32-,35+,36+/m0/s1
InChIKeyIAFUWLPUGUXWCB-ITKMAYAGSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Gc-(2→8)-α-Neup5Gc-(2→6)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:85890) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Names 
3,5-dideoxy-5-(glycoloylamino)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-3,5-dideoxy-5-(glycoloylamino)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
3,5-dideoxy-5-(2-hydroxyacetamido)-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→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-Neu5Gc-(2→8)-α-Neu5Gc-(2→6)-β-D-Gal-(1→4)-D-GlcNAcChEBI
Neu5Gcα2-8Neu5Gcα2-6Galβ1-4GlcNAcChEBI
α-N-glycoloylneuraminyl-(2→8)-α-N-glycoloylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamineChEBI
Neu5Gca2-8Neu5Gca2-6Galb1-4GlcNAcChEBI
N-glycoloyl-α-neuraminyl-(2→8)-N-glycoloyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamineChEBI
O-3,5-dideoxy-5-[(2-hydroxyacetyl)amino]-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→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
Citations