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)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc (CHEBI:68544)

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CHEBI:68544 - 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)-[α-L-Fuc-(1→6)]-β-D-GlcNAc

ChEBI ID	CHEBI:68544
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)-[α-L-Fuc-(1→6)]-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)-[alpha-L-Fuc-(1->6)]-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 branched tetrasaccharide chain consisting of mannose linked β(1→4) to an N-acetyl-β-D-glucosamine residue to which is also linked (1→6) an α-L-fucosyl residue, the whole being 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	C80H134N4O58
Net Charge	0
Average Mass	2079.922
Monoisotopic Mass	2078.76590
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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCS	WURCS=2.0/5,12,11/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-5-5/a4-b1_a6-l1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_e4-g1_h2-i1_i3-j1_i4-k1
InChI	InChI=1S/C80H134N4O58/c1-17-37(96)47(106)54(113)73(122-17)120-16-32-61(45(104)33(69(119)125-32)81-20(4)92)134-70-34(82-21(5)93)46(105)60(28(12-89)130-70)135-78-59(118)66(140-80-68(53(112)43(102)27(11-88)129-80)142-72-36(84-23(7)95)65(139-77-58(117)51(110)41(100)25(9-86)127-77)63(30(14-91)132-72)137-75-56(115)49(108)39(98)19(3)124-75)44(103)31(133-78)15-121-79-67(52(111)42(101)26(10-87)128-79)141-71-35(83-22(6)94)64(138-76-57(116)50(109)40(99)24(8-85)126-76)62(29(13-90)131-71)136-74-55(114)48(107)38(97)18(2)123-74/h17-19,24-80,85-91,96-119H,8-16H2,1-7H3,(H,81,92)(H,82,93)(H,83,94)(H,84,95)/t17-,18-,19-,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-,75-,76-,77-,78-,79-,80+/m0/s1
InChIKey	QUJATTOOVNRXDI-VNAIUMEASA-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)-[α-L-Fuc-(1→6)]-β-D-GlcNAc (CHEBI:68544) 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)-[α-L-Fuc-(1→6)]-β-D-GlcNAc (CHEBI:68544) 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)-[α-L-Fuc-(1→6)]-β-D-GlcNAc (CHEBI:68544) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
6-deoxy-α-L-galactopyranosyl-(1→6)-[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→6)-[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
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)-[α-L-Fucp-(1→6)]-β-D-GlcpNAc	JCBN
α-L-fucosyl-(1→6)-[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
Galβ1-3(Fucα1-4)GlcNAcβ1-2Manα1-3[Galβ1-3(Fucα1-4)GlcNAcβ1-2Manα1-6]Manβ1-4GlcNAcβ1-4(Fucα1-6)GlcNAcβ	ChEBI
Fuca1-4(Galb1-3)GlcNAcb1-2Mana1-6(Fuca1-4(Galb1-3)GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb	ChEBI

Manual Xrefs	Databases
G24095BS	GlyTouCan
G24095BS	GlyGen

Citations