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CHEBI:87573 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[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→2)-α-D-Man-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:87573
ChEBI Nameβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[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→2)-α-D-Man-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[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->2)-alpha-D-Man-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
DefinitionAn 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)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-α-D-mannosyl and 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 Modified25 January 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC84H140N6O61
Net Charge0
Average Mass2210.025
Monoisotopic Mass2208.80374
SMILESCC(=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]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](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](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
WURCSWURCS=2.0/5,12,11/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-2-4-2-5-2-5/a4-b1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_e4-f1_h2-i1_h6-k1_i4-j1_k4-l1
InChIInChI=1S/C84H140N6O61/c1-19(101)85-37-50(114)64(30(12-96)131-73(37)128)143-76-40(88-22(4)104)52(116)68(34(16-100)138-76)147-82-63(127)70(149-84-72(58(122)47(111)29(11-95)136-84)151-78-42(90-24(6)106)54(118)67(33(15-99)140-78)146-81-62(126)57(121)46(110)28(10-94)135-81)69(148-75-38(86-20(2)102)49(113)43(107)25(7-91)132-75)36(142-82)18-130-83-71(150-77-41(89-23(5)105)53(117)66(32(14-98)139-77)145-80-61(125)56(120)45(109)27(9-93)134-80)59(123)48(112)35(141-83)17-129-74-39(87-21(3)103)51(115)65(31(13-97)137-74)144-79-60(124)55(119)44(108)26(8-92)133-79/h25-84,91-100,107-128H,7-18H2,1-6H3,(H,85,101)(H,86,102)(H,87,103)(H,88,104)(H,89,105)(H,90,106)/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
InChIKeyADCXWZASKQTREK-QUNIPFAQSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[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→2)-α-D-Man-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:87573) is a amino oligosaccharide (CHEBI:22483)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[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→2)-α-D-Man-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:87573) 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→6)]-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-D-glucopyranose
Synonyms  Source
β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[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→2)-α-D-Man-(1→3)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAcChEBI
Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-2)Mana1-6(GlcNAcb1-4)(Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcChEBI
N-acetyl-β-D-glucosaminyl-(1→4)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-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-glucosamineChEBI
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[2-acetamido-2-deoxy-4-O-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-β-D-glucopyranosyl-(1→2)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-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-D-glucopyranoseChEBI
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[O-2-(acetylamino)-2-deoxy-4-O-[(2S,3R,4S,5R,6R)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]-β-D-glucopyranosyl-(1→2)-O-[O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-O-[O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
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