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CHEBI:87801 - β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-GlcNAc-(1→4)-[β-D-GlcpNAc-(1→2)]α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc

ChEBI IDCHEBI:87801
ChEBI Nameβ-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-GlcNAc-(1→4)-[β-D-GlcpNAc-(1→2)]α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->6)-[beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-{beta-D-GlcNAc-(1->4)-[beta-D-GlcpNAc-(1->2)]alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-D-GlcpNAc
DefinitionA branched amino oligosaccharide that is an undecasaccharide derivative consisting of a linear trisaccharide of β-D-mannose, N-acetyl-β-D-glucosamine and N-acetyl-D-glucosamine residues all linked in sequence (1→4), to the mannosyl residue of which are linked an N-acetyl-β-D-glucosaminyl residue [via a (1→4) linkage], an N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-β-D-glucosaminyl-(1→4)]-α-D-mannosyl branched trisaccharide unit [linked (1→3)], and an N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-β-D-glucosaminyl-(1→6)]-α-D-mannosyl branched trisaccharide unit [linked (1→6)], while to the N-acetyl-D-glucosamine residue at the reducing end is linked (1→6) an α-L-fucose residue.
Last Modified19 February 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC80H133N7O55
Net Charge0
Average Mass2072.938
Monoisotopic Mass2071.78255
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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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](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](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](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,11,10/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-2-2-4-2-2-5/a4-b1_a6-k1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_d4-f1_h2-i1_h6-j1
InChIInChI=1S/C80H133N7O55/c1-19-44(102)58(116)60(118)77(125-19)123-17-35-65(56(114)37(70(121)126-35)81-20(2)95)137-76-43(87-26(8)101)57(115)63(32(14-93)132-76)138-78-62(120)67(140-80-69(142-75-42(86-25(7)100)55(113)49(107)31(13-92)131-75)61(119)64(33(15-94)133-80)136-72-39(83-22(4)97)52(110)46(104)28(10-89)128-72)66(139-73-40(84-23(5)98)53(111)47(105)29(11-90)129-73)36(135-78)18-124-79-68(141-74-41(85-24(6)99)54(112)48(106)30(12-91)130-74)59(117)50(108)34(134-79)16-122-71-38(82-21(3)96)51(109)45(103)27(9-88)127-71/h19,27-80,88-94,102-121H,9-18H2,1-8H3,(H,81,95)(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,101)/t19-,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
InChIKeyDTACQJXGALXECZ-OMGMMOIRSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-GlcNAc-(1→4)-[β-D-GlcpNAc-(1→2)]α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc (CHEBI:87801) is a amino oligosaccharide (CHEBI:22483)
β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-GlcNAc-(1→4)-[β-D-GlcpNAc-(1→2)]α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc (CHEBI:87801) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-α-D-mannopyranosyl-(1→3)]-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-α-D-mannopyranosyl-(1→3)]-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-glucopyranoseIUPAC
β-D-GlcNAc-(1→6)-[β-D-GlcNAc-(1→2)]-α-D-Man-(1→6)-[β-D-GlcNAc-(1→4)]-{β-D-GlcNAc-(1→4)-[β-D-GlcNAc-(1→2)]α-D-Man-(1→3)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-[α-L-Fuc-(1→6)]-D-GlcNAcChEBI
N-acetyl-β-D-glucosaminyl-(1→4)-[N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-β-D-glucosaminyl-(1→4)]-α-D-mannosyl-(1→3)]-[N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-β-D-glucosaminyl-(1→6)]-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[α-L-fucosyl-(1→6)]-N-acetyl-D-glucosamineChEBI
GlcNAcb1-6(GlcNAcb1-2)Mana1-6(GlcNAcb1-4)(GlcNAcb1-4(GlcNAcb1-2)Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcChEBI
GlcNAcβ1-2(GlcNAcβ1-6)Manα1-6(GlcNAcβ1-4)(GlcNAcβ1-2(GlcNAcβ1-4)Manα1-3)Manb1-4GlcNAcβ1-4(Fucα1-6)GlcNAcChEBI
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)]-α-D-mannopyranosyl-(1→3)]-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→6)]-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
Manual XrefsDatabases
G91827TXGlyTouCan
G91827TXGlyGen
Citations