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CHEBI:149613 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-GalpO[CH2]2NH2

ChEBI IDCHEBI:149613
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-GalpO[CH2]2NH2
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-GalpO[CH2]2NH2
DefinitionA pentasaccharide derivative consisting of β-D-galactose at the reducing end linked glycosidically to a 2-aminoethyl group, while having a β-D-glucosyl residue at the 4-position and an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosyl moiety at the 3-position.
Last Modified29 April 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H67N3O29
Net Charge0
Average Mass1041.957
Monoisotopic Mass1041.38602
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)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](OCCN)O[C@H](CO)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C39H67N3O29/c1-11(48)41-19-13(50)5-39(38(60)61,70-31(19)21(52)14(51)6-43)71-32-23(54)16(8-45)64-37(27(32)58)67-29-17(9-46)65-34(20(24(29)55)42-12(2)49)69-33-28(59)35(62-4-3-40)66-18(10-47)30(33)68-36-26(57)25(56)22(53)15(7-44)63-36/h13-37,43-47,50-59H,3-10,40H2,1-2H3,(H,41,48)(H,42,49)(H,60,61)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25-,26+,27+,28+,29+,30-,31+,32-,33+,34-,35+,36-,37-,39-/m0/s1
InChIKeyOLUHDHSLEQPUPR-DXOUJWSISA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-GalpO[CH2]2NH2 (CHEBI:149613) has functional parent α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp (CHEBI:61712)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-GalpO[CH2]2NH2 (CHEBI:149613) is a glycoside (CHEBI:24400)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-GalpO[CH2]2NH2 (CHEBI:149613) is a pentasaccharide derivative (CHEBI:63566)
IUPAC Name 
2-aminoethyl 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)-[β-D-glucopyranosyl-(1→4)]-β-D-galactopyranoside
Synonyms  Source
2-aminoethyl N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-β-D-galactopyranosideChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[β-D-Glc-(1→4)]-β-D-GalO[CH2]2NH2ChEBI
Neu5Acα2-3Galβ1-4GlcNAcβ1-3(Glcβ1-4)GalβO[CH2]2NH2ChEBI
Citations