alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc (CHEBI:71646)

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CHEBI:71646 - α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc

ChEBI ID	CHEBI:71646
ChEBI Name	α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc
Stars
ASCII Name	alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc
Definition	A branched amino oligosaccharide comprising a linear trisaccharide of β-D-mannosyl and two N-acetyl-β-D-glucosaminyl residues all linked in sequence (1→4), to the mannosyl residue of which are (1→3)- and (1→6)-linked two branches consisting of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and α-D-mannosyl residues linked respectively in (2→3), (1→4), (1→2) and (2→6), (1→4), (1→2) sequences.
Last Modified	27 June 2023
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C84H138N6O62
Net Charge	0
Average Mass	2224.008
Monoisotopic Mass	2222.78300
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](OC[C@H]5O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]7[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]7CO)O[C@@H]6CO)[C@@H](O)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O8)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@@H]5O)O[C@H](CO)[C@@H](O)[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=2.0/5,11,10/[a2122h-1b_1-5_2NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O]/1-1-2-3-1-4-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_i4-j1_j6-k2
InChI	InChI=1S/C84H138N6O62/c1-20(100)85-39-26(106)7-83(81(128)129,150-66(39)45(110)28(108)9-91)133-19-38-49(114)56(121)59(124)76(142-38)144-63-34(15-97)139-74(43(54(63)119)89-24(5)104)148-70-57(122)47(112)30(11-93)136-79(70)132-18-37-51(116)68(60(125)77(141-37)145-64-35(16-98)138-73(42(53(64)118)88-23(4)103)143-62-33(14-96)134-72(127)41(52(62)117)87-22(3)102)147-80-71(58(123)48(113)31(12-94)137-80)149-75-44(90-25(6)105)55(120)65(36(17-99)140-75)146-78-61(126)69(50(115)32(13-95)135-78)152-84(82(130)131)8-27(107)40(86-21(2)101)67(151-84)46(111)29(109)10-92/h26-80,91-99,106-127H,7-19H2,1-6H3,(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,89,104)(H,90,105)(H,128,129)(H,130,131)/t26-,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+,64+,65+,66+,67+,68-,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79-,80+,83+,84-/m0/s1
InChIKey	QVICFDLBUMXOPD-LEBUUVDNSA-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-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:71646) has role epitope (CHEBI:53000)
	α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:71646) is a amino oligosaccharide (CHEBI:22483)
	α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:71646) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
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→2)-α-D-mannopyranosyl-(1→3)-[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→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose

IUPAC Name

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→2)-α-D-mannopyranosyl-(1→3)-[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→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose

Synonyms	Source
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc	IUPAC
Neu5Acα2-3Galβ1-4GlcNAcβ1-2Manα1-3(Neu5Acα2-6Galβ1-4GlcNAcβ1-2Manα1-6)Manβ1-4GlcNAcβ1-4GlcNAcβ	ChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb	ChEBI
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→2)-O-α-D-mannopyranosyl-(1→3)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose	ChEBI

Manual Xrefs	Databases
G51793MY	GlyTouCan
G51793MY	GlyGen

Citations