beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-{beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc (CHEBI:87558)

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CHEBI:87558 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[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)-D-GlcpNAc

ChEBI ID	CHEBI:87558
ChEBI Name	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[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)-D-GlcpNAc
Stars
ASCII Name	beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-{beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
Definition	An amino oligosaccharide that is a dodecasaccharide derivative consisting of a tetrasaccharide chain of N-acetyl-β-D-glucosamine, β-D-mannose, N-acetyl-β-D-glucosamine and N-acetyl-D-glucosamine residues, all linked sequentially (1→4), to the β-D-mannose residue of which are also linked β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl and β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)]-α-D-mannosyl units via (1→6) and (1→3) linkages respectively.
Last Modified	25 January 2024
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C84H140N6O61
Net Charge	0
Average Mass	2210.025
Monoisotopic Mass	2208.80374
SMILES	CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[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](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCS	WURCS=2.0/5,12,11/[a2122h-1x_1-5_2NCC/3=O][a2122h-1b_1-5_2NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-2-5-2-4-2-5/a4-b1_b4-c1_c3-d1_c4-i1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_j2-k1_k4-l1
InChI	InChI=1S/C84H140N6O61/c1-19(102)85-37-49(114)63(30(12-96)130-73(37)128)142-75-39(87-21(3)104)51(116)67(34(16-100)136-75)147-82-62(127)70(69(148-74-38(86-20(2)103)48(113)43(108)25(7-91)131-74)36(141-82)18-129-83-71(57(122)47(112)29(11-95)135-83)150-77-41(89-23(5)106)52(117)65(32(14-98)138-77)145-80-59(124)55(120)45(110)27(9-93)133-80)149-84-72(151-78-42(90-24(6)107)53(118)66(33(15-99)139-78)146-81-60(125)56(121)46(111)28(10-94)134-81)61(126)68(35(17-101)140-84)143-76-40(88-22(4)105)50(115)64(31(13-97)137-76)144-79-58(123)54(119)44(109)26(8-92)132-79/h25-84,91-101,108-128H,7-18H2,1-6H3,(H,85,102)(H,86,103)(H,87,104)(H,88,105)(H,89,106)(H,90,107)/t25-,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+,81+,82+,83+,84-/m1/s1
InChIKey	LOMJDTYLIPRRCX-KZZGDACDSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[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)-D-GlcpNAc (CHEBI:87558) is a amino oligosaccharide (CHEBI:22483)
	β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[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)-D-GlcpNAc (CHEBI:87558) is a glucosamine oligosaccharide (CHEBI:22485)

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

IUPAC Name

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

Synonyms	Source
β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)-[β-D-GlcNAc-(1→4)]-{β-D-Gal-(1→4)-β-D-GlcNAc-(1→4)-[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)-D-GlcNAc	ChEBI
β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)-[N-acetyl-β-D-glucosaminyl-(1→4)]-{β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[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-D-glucosamine	ChEBI
Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-4)(Galb1-4GlcNAcb1-4(Galb1-4GlcNAcb1-2)Mana1-3)Manb1-4GlcNAcb1-4GlcNAc	ChEBI
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-[O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)]-α-D-mannopyranosyl-(1→3)]-O-[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-D-glucopyranose	ChEBI

Manual Xrefs	Databases
G28659UB	GlyTouCan
G28659UB	GlyGen

Citations