alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-{alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc (CHEBI:67220)

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CHEBI:67220 - α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc

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ChEBI ID	CHEBI:67220
ChEBI Name	α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-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-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-{alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc
Definition	An amino oligosaccharide that is a tridecasaccharide derivative in which two pentasaccharide branches, each formed from N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-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 trisaccharide chain consisting of mannose and two N-acetylglucosamine residues all linked β(1→4) with a β-configuration of the anomeric carbon of the N-acetylglucosamine residue at the reducing end.
Last Modified	13 April 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C90H150N6O64
Net Charge	0
Average Mass	2340.168
Monoisotopic Mass	2338.86673
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](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[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](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[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=2.0/6,13,12/[a2122h-1b_1-5_2NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2NCC/3=O]/1-1-2-3-1-4-5-6-3-1-4-5-6/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_f2-g1_f3-h1_i2-j1_j3-k1_k2-l1_k3-m1
InChI	InChI=1S/C90H150N6O64/c1-20-45(113)60(128)64(132)84(137-20)159-76-72(155-79-40(92-23(4)108)56(124)47(115)28(9-97)140-79)53(121)34(15-103)146-89(76)152-69-43(95-26(7)111)82(142-32(13-101)51(69)119)157-74-62(130)49(117)30(11-99)144-87(74)136-19-38-55(123)71(66(134)86(149-38)151-68-37(18-106)148-81(42(59(68)127)94-25(6)110)150-67-36(17-105)139-78(135)39(58(67)126)91-22(3)107)154-88-75(63(131)50(118)31(12-100)145-88)158-83-44(96-27(8)112)70(52(120)33(14-102)143-83)153-90-77(160-85-65(133)61(129)46(114)21(2)138-85)73(54(122)35(16-104)147-90)156-80-41(93-24(5)109)57(125)48(116)29(10-98)141-80/h20-21,28-90,97-106,113-135H,9-19H2,1-8H3,(H,91,107)(H,92,108)(H,93,109)(H,94,110)(H,95,111)(H,96,112)/t20-,21-,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+,81-,82-,83-,84-,85-,86-,87-,88+,89-,90-/m0/s1
InChIKey	QCMIPDHVPVZONA-ZVNBLOGOSA-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-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:67220) has role epitope (CHEBI:53000)
	α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:67220) is a amino oligosaccharide (CHEBI:22483)
	α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:67220) is a glucosamine oligosaccharide (CHEBI:22485)

Synonyms	Source
α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc	JCBN
N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-Gal-(1→3)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-{N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-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
GalNAcα1-3(Fucα1-2)Galβ1-3GlcNAcβ1-2Manα1-3[GalNAcα1-3(Fucα1-2)Galβ1-3GlcNAcβ1-2Manα1-6]Manβ1-4GlcNAcβ1-4GlcNAcβ	ChEBI
GalNAca1-3(Fuca1-2)Galb1-3GlcNAcb1-2Mana1-6(GalNAca1-3(Fuca1-2)Galb1-3GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb	ChEBI

Manual Xrefs	Databases
G27432KC	GlyTouCan

Citations