alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc (CHEBI:71664)

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CHEBI:71664 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc

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ChEBI ID	CHEBI:71664
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Name	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
Definition	A linear amino heptasaccharide comprising α-neuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl and N-acetyl-β-D-glucosamine residues connected via (2→3), (1→4), (1→3), (1→4), (1→3) and (1→4) linkages.
Last Modified	20 April 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C53H88N4O39
Net Charge	0
Average Mass	1405.276
Monoisotopic Mass	1404.50257
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](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]7CO)[C@@H]6O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCS	WURCS=2.0/3,7,6/[a2122h-1b_1-5_2NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O]/1-2-1-2-1-2-3/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g2
InChI	InChI=1S/C53H88N4O39/c1-13(65)54-25-17(69)5-53(52(82)83,95-42(25)29(71)18(70)6-58)96-45-32(74)21(9-61)87-51(38(45)80)92-41-24(12-64)89-48(28(35(41)77)57-16(4)68)94-44-31(73)20(8-60)86-50(37(44)79)91-40-23(11-63)88-47(27(34(40)76)56-15(3)67)93-43-30(72)19(7-59)85-49(36(43)78)90-39-22(10-62)84-46(81)26(33(39)75)55-14(2)66/h17-51,58-64,69-81H,5-12H2,1-4H3,(H,54,65)(H,55,66)(H,56,67)(H,57,68)(H,82,83)/t17-,18+,19+,20+,21+,22+,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-,53-/m0/s1
InChIKey	PRGHSAXSQGMLMV-YQNRVFQDSA-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→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71664) has role epitope (CHEBI:53000)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71664) is a amino heptasaccharide (CHEBI:70970)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71664) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-β-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-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose

Synonyms	Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-GlcNAc	ChEBI
N-acetylα-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ	ChEBI
Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb	ChEBI

Manual Xrefs	Databases
G67969KB	GlyTouCan

Citations