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CHEBI:87444 - β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc

ChEBI IDCHEBI:87444
ChEBI Nameβ-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc
DefinitionA branched amino pentasaccharide consisting of β-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosamine in which the galactosyl residue at the non-reducing end has α-sialyl and N-acetyl-β-D-glucosaminyl residues attached via glycosidic linkages at positions 3 and 4 respectively.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC41H68N4O29
Net Charge0
Average Mass1080.994
Monoisotopic Mass1080.39692
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]4NC(C)=O)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C41H68N4O29/c1-11(51)42-21-15(55)5-41(40(64)65,73-34(21)25(57)16(56)6-46)74-35-30(62)39(69-20(10-50)32(35)71-37-22(43-12(2)52)28(60)26(58)17(7-47)67-37)70-31-19(9-49)68-38(23(29(31)61)44-13(3)53)72-33-24(45-14(4)54)36(63)66-18(8-48)27(33)59/h15-39,46-50,55-63H,5-10H2,1-4H3,(H,42,51)(H,43,52)(H,44,53)(H,45,54)(H,64,65)/t15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,41-/m0/s1
InChIKeyPYVZOBKWBVIUCT-BNRXCGEASA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:87444) is a amino pentasaccharide (CHEBI:59268)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:87444) is a galactosamine oligosaccharide (CHEBI:22484)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:87444) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)]-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-[β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-α-D-GalNAcChEBI
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-α-D-GalNAcChEBI
GalNAcb1-4(Neu5Aca2-3)Galb1-4GlcNAcb1-3GalNAcaChEBI
2-acetamido-2-deoxy-β-D-galactosyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)]-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosamineChEBI
GalNAcβ1-4(Neu5Acα2-3)Galβ1-4GlcNAcβ1-3GalNAcαChEBI
O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[5-(acetylamino)-3,5-dideoxy-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)-2-(acetylamino)-2-deoxy-α-D-galactopyranoseChEBI
Citations