alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-[beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp (CHEBI:72621)

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CHEBI:72621 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp

ChEBI ID	CHEBI:72621
ChEBI Name	α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Name	alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-[beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp
Definition	A branched amino heptasaccharide consisting of a chain of four α-sialyl residues, a β-D-galactosyl residue and a β-D-glucose residue linked sequentially (2→8), (2→8), (2→8), (2→3) and (1→4), to the galactosyl residue of which is also linked (1→4) an N-acetyl-β-D-galactosaminyl residue.
Last Modified	27 June 2023
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C64H103N5O48
Net Charge	0
Average Mass	1710.515
Monoisotopic Mass	1709.57725
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](CO)[C@@H](O)[C@]3([H])O[C@@](O[C@H](CO)[C@@H](O)[C@]4([H])O[C@@](O[C@@H]5[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)O[C@@H]6CO)O[C@H](CO)[C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)(C(=O)O)C[C@H](O)[C@H]4NC(C)=O)(C(=O)O)C[C@H](O)[C@H]3NC(C)=O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C64H103N5O48/c1-17(77)65-33-22(82)6-61(57(97)98,113-49(33)38(87)26(86)10-70)110-28(12-72)40(89)50-34(66-18(2)78)23(83)7-62(114-50,58(99)100)111-29(13-73)41(90)51-35(67-19(3)79)24(84)8-63(115-51,59(101)102)112-30(14-74)42(91)52-36(68-20(4)80)25(85)9-64(116-52,60(103)104)117-53-46(95)56(108-47-31(15-75)105-54(96)45(94)44(47)93)107-32(16-76)48(53)109-55-37(69-21(5)81)43(92)39(88)27(11-71)106-55/h22-56,70-76,82-96H,6-16H2,1-5H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/t22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40+,41+,42+,43+,44+,45+,46+,47+,48-,49+,50+,51+,52+,53+,54+,55-,56-,61+,62+,63+,64-/m0/s1
InChIKey	BAILJZJFDJQIOQ-QOMVUZQYSA-N

Roles Classification

Biological Role:

epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72621) has role epitope (CHEBI:53000)
	α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72621) is a amino heptasaccharide (CHEBI:70970)
	α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72621) is a galactosamine oligosaccharide (CHEBI:22484)

IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2→3)-[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

IUPAC Name

5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2→3)-[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

Synonyms	Source
NeuAcα2-8NeuAcα2-8NeuAcα2-8NeuAcα2-3(GalNAcβ1-4)Galβ1-4Glcβ	ChEBI
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-[N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucose	ChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-[β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-Glc	ChEBI
GalNAcb1-4(Neu5Aca2-8Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3)Galb1-4Glcb	ChEBI
O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)]-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose	ChEBI

Citations