alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc (CHEBI:72008)

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CHEBI:72008 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc

Default Structure

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ChEBI ID	CHEBI:72008
ChEBI Name	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc
Stars
ASCII Name	alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc
Definition	An amino nonasaccharide comprising a sequence of α-sialyl, 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 by (2→6), (1→4), (1→3), (1→4), (1→3), (1→4) and (1→3) linkages respectively, to the reducing-end and proximal N-acetyl-β-D-glucosaminyl residues of which are also (1→3)-linked α-L-fucosyl residues.
Last Modified	20 April 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C65H108N4O47
Net Charge	0
Average Mass	1697.560
Monoisotopic Mass	1696.61839
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](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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[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]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[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](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCS	WURCS=2.0/4,9,8/[a2122h-1b_1-5_2NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O]/1-2-3-1-2-3-1-3-4/a3-b1_a4-c1_c3-d1_d3-e1_d4-f1_f3-g1_g4-h1_h6-i2
InChI	InChI=1S/C65H108N4O47/c1-15-33(82)40(89)43(92)59(101-15)112-52-31(68-19(5)78)56(97)103-26(12-74)49(52)110-62-47(96)55(38(87)24(10-72)104-62)115-58-32(69-20(6)79)53(113-60-44(93)41(90)34(83)16(2)102-60)50(27(13-75)107-58)111-63-46(95)54(37(86)23(9-71)105-63)114-57-30(67-18(4)77)39(88)48(25(11-73)106-57)109-61-45(94)42(91)36(85)28(108-61)14-100-65(64(98)99)7-21(80)29(66-17(3)76)51(116-65)35(84)22(81)8-70/h15-16,21-63,70-75,80-97H,7-14H2,1-6H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,98,99)/t15-,16-,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+,52+,53+,54-,55-,56+,57-,58-,59-,60-,61-,62-,63-,65+/m0/s1
InChIKey	NTLUHLLEFBQGEC-PJAFKPHGSA-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→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:72008) has role epitope (CHEBI:53000)
	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:72008) is a amino nonasaccharide (CHEBI:68818)
	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:72008) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranose

Synonyms	Source
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosamine	ChEBI
Neu5Acα2-6Galβ1-4GlcNAcβ1-3Galβ1-4(Fucα1-3)GlcNAcβ1-3Galβ1-4(Fucα1-3)GlcNAcβ	ChEBI
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc	ChEBI

Manual Xrefs	Databases
G61435KZ	GlyGen
G61435KZ	GlyTouCan

Citations