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CHEBI:190715 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp

ChEBI IDCHEBI:190715
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp
DefinitionA branched amino pentasaccharide comprising a chain of α-N-acetylneuraminyl, N-acetyl-β-D-glucosaminyl and β-D-galactose residues linked sequentially (2→6) and (1→3), to the N-acetyl-β-D-glucosaminyl residue of which is also attached via a β(1→3) linkage an N-acetylneuraminyl-(1→3)-D-galactosyl disaccharide side-chain. A 5-aminopentyl linker may be attached to the oxygen at position 1 of the reducing-end galactose residue.
Last Modified6 April 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H69N3O32
Net Charge0
Average Mass1128.003
Monoisotopic Mass1127.38642
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C42H69N3O32/c1-11(50)43-21-14(53)4-41(39(65)66,75-32(21)24(57)16(55)6-46)69-10-20-28(61)31(23(45-13(3)52)37(72-20)74-34-26(59)18(8-48)70-36(64)29(34)62)73-38-30(63)35(27(60)19(9-49)71-38)77-42(40(67)68)5-15(54)22(44-12(2)51)33(76-42)25(58)17(56)7-47/h14-38,46-49,53-64H,4-10H2,1-3H3,(H,43,50)(H,44,51)(H,45,52)(H,65,66)(H,67,68)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,36+,37-,38-,41+,42-/m0/s1
InChIKeyVJRNMBKWZBBSAR-NUEZSDTASA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:190715) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:190715) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranose
Synonyms  Source
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→6)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactoseChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GlcNAc-(1→3)-β-D-GalChEBI
Neu5Acα2-6Galβ1-3(Neu5Acα2-6)GlcNAcβ1-3GalβIUPAC
N-acetyl-α-neuraminyl-(2→6)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactoseChEBI
Citations