beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-{alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc (CHEBI:70962)

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CHEBI:70962 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

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ChEBI ID	CHEBI:70962
ChEBI Name	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Name	beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-{alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
Definition	A branched amino decasaccharide comprised of a hexasaccharide chain of β-D-galactose, N-acetyl-β-D-glucosamine, α-D-mannose, β-D-mannose, and two N-acetyl-β-D-glucosamine residues linked sequentially (1→4), (1→2), (1→3), (1→4) and (1→4), to the β-D-mannose residue of which is (1→6)-linked an α-L-fucosyl-(1→3)-[β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosaminyl-(1→3)-α-D-mannosyl tetrasaccharide branch.
Last Modified	13 April 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C68H114N4O50
Net Charge	0
Average Mass	1787.638
Monoisotopic Mass	1786.65008
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](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[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](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[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=2.0/5,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-3-1-5-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_h3-i1_h4-j1
InChI	InChI=1S/C68H114N4O50/c1-15-33(85)42(94)47(99)63(105-15)119-55-32(72-19(5)84)62(113-27(13-80)54(55)118-65-49(101)44(96)35(87)21(7-74)108-65)121-57-45(97)36(88)22(8-75)109-67(57)104-14-28-38(90)56(50(102)66(114-28)117-53-26(12-79)111-60(30(40(53)92)70-17(3)82)115-51-24(10-77)106-59(103)29(39(51)91)69-16(2)81)120-68-58(46(98)37(89)23(9-76)110-68)122-61-31(71-18(4)83)41(93)52(25(11-78)112-61)116-64-48(100)43(95)34(86)20(6-73)107-64/h15,20-68,73-80,85-103H,6-14H2,1-5H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t15-,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+,52+,53+,54+,55+,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,68+/m0/s1
InChIKey	VKTMBXNJTNXLJU-RQCAQEIHSA-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-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:70962) has role epitope (CHEBI:53000)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:70962) is a amino decasaccharide (CHEBI:68691)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Man-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:70962) is a glucosamine oligosaccharide (CHEBI:22485)

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

Synonyms	Source
6-deoxy-α-L-galactopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose	IUPAC
Galβ1-4GlcNAcβ1-2Manα1-3(Fucα1-3(Galβ1-4)GlcNAcβ1-2Manα1-6)Manβ1-4GlcNAcβ1-4GlcNAcβ	ChEBI
α-L-Fuc-(1→3)-[β-D-Gal-(1→4)]-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc	ChEBI
α-L-Fucp-(1→3)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc	ChEBI
α-L-fucosyl-(1→3)-[β-D-galactosyl-(1→4)]-N-acetyl-2-β-D-glucosaminsyl-(1→2)-α-D-mannosyl-(1→6)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-L-Fuc-(1→3)-[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	JCBN

Manual Xrefs	Databases
G01935FK	GlyGen
G01935FK	GlyTouCan

Citations