beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->3)-{beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc (CHEBI:68559)

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CHEBI:68559 - β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→3)-{β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc

ChEBI ID	CHEBI:68559
ChEBI Name	β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→3)-{β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc
Stars
ASCII Name	beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->3)-{beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc
Definition	An amino oligosaccharide that is a dodecasaccharide derivative in which two tetrasaccharide branches, each formed from α-L-fucosyl-(1→4)-[β-D-galactosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannose, are linked (1→3) and (1→6) to the mannose residue of a linear trisaccharide chain consisting of mannose linked β(1→4) to an N-acetyl-β-D-glucosamine residue which is itself linked β(1→4) to an N-acetyl-β-D-glucosamine residue at the reducing end.
Last Modified	13 April 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C74H124N4O54
Net Charge	0
Average Mass	1933.780
Monoisotopic Mass	1932.70799
SMILES	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCS	WURCS=2.0/5,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_e4-g1_h2-i1_i3-j1_i4-k1
InChI	InChI=1S/C74H124N4O54/c1-16-35(91)44(100)50(106)68(113-16)126-57-28(13-85)121-66(33(77-20(5)89)59(57)128-70-52(108)46(102)37(93)22(7-79)116-70)131-62-48(104)39(95)24(9-81)118-73(62)112-15-30-41(97)61(54(110)72(123-30)125-56-27(12-84)120-65(32(43(56)99)76-19(4)88)124-55-26(11-83)115-64(111)31(42(55)98)75-18(3)87)130-74-63(49(105)40(96)25(10-82)119-74)132-67-34(78-21(6)90)60(129-71-53(109)47(103)38(94)23(8-80)117-71)58(29(14-86)122-67)127-69-51(107)45(101)36(92)17(2)114-69/h16-17,22-74,79-86,91-111H,7-15H2,1-6H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/t16-,17-,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-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74+/m0/s1
InChIKey	XLJDVNPHCHDKMU-ZRIWBAKZSA-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)
	β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→3)-{β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:68559) has role epitope (CHEBI:53000)
	β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→3)-{β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:68559) is a amino oligosaccharide (CHEBI:22483)
	β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→3)-{β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:68559) is a glucosamine oligosaccharide (CHEBI:22485)

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

6-deoxy-α-L-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→3)]-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
Galβ1-3(Fucα1-4)GlcNAcβ1-2Manα1-3[Galβ1-3(Fucα1-4)GlcNAcβ1-2Manα1-6]Manβ1-4GlcNAcβ1-4GlcNAcβ	ChEBI
β-D-Galp-(1→3)-[α-L-Fucp-(1→4)]-β-D-GlcpNAc-(1→2)-α-DManp-(1→3)-{β-D-Galp-(1→3)-[α-L-Fucp-(1→4)]-β-D-GlcpNAc-(1→2)-α-DManp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc	ChEBI
α-L-fucosyl-(1→4)-[β-D-galactosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[α-L-galactosyl-(1→4)-[β-D-galactosyl-(1→3)]-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

Manual Xrefs	Databases
G56720TK	GlyTouCan
G56720TK	GlyGen

Citations