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CHEBI:85887 - α-Neup5Gc-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:85887
ChEBI Nameα-Neup5Gc-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Gc-(2->8)-alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc
DefinitionA linear amino hexasaccharide comprising two α-N-glycoloylneuraminyl residues, a β-D-galactose residue, an N-acetyl-β-D-glucosamine residue, a β-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2→8), (2→3), (1→4), (1→3) and (1→4).
Last Modified26 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC50H82N4O39
Net Charge0
Average Mass1363.195
Monoisotopic Mass1362.45562
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@@](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]6CO)[C@@H]5O)O[C@@H]4CO)[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/C50H82N4O39/c1-13(63)51-27-33(74)37(21(9-59)83-43(27)78)87-45-35(76)41(30(71)18(6-56)84-45)89-44-28(52-14(2)64)34(75)38(22(10-60)86-44)88-46-36(77)42(31(72)19(7-57)85-46)93-50(48(81)82)4-16(66)26(54-24(69)12-62)40(92-50)32(73)20(8-58)90-49(47(79)80)3-15(65)25(53-23(68)11-61)39(91-49)29(70)17(67)5-55/h15-22,25-46,55-62,65-67,70-78H,3-12H2,1-2H3,(H,51,63)(H,52,64)(H,53,68)(H,54,69)(H,79,80)(H,81,82)/t15-,16-,17+,18+,19+,20+,21+,22+,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41-,42-,43?,44-,45-,46-,49+,50-/m0/s1
InChIKeyLYLBMFUJWZTKRB-RKGZRMJLSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Gc-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:85887) is a amino hexasaccharide (CHEBI:61855)
α-Neup5Gc-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:85887) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names 
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→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
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→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-N-glycoloylneuraminyl-(2→8)-α-N-glycoloylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamineChEBI
α-Neu5Gc-(2→8)-α-Neu5Gc-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-GlcNAcChEBI
Neu5Gcα2-8Neu5Gcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcChEBI
Neu5Gca2-8Neu5Gca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcChEBI
N-glycoloyl-α-neuraminyl-(2→8)-N-glycoloyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-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→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
Citations