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CHEBI:153406 - β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:153406
ChEBI Nameβ-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-D-GlcpNAc
DefinitionAn amino hexasaccharide derivative that is β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc in which the mannosyl group is substituted at position 6 by an α-D-Man residue and at position 3 by a β-D-GlcNAc-(1→2)-α-D-Man group.
Last Modified26 September 2022
SubmitterGareth Owen
DownloadsMolfile
FormulaC42H71N3O31
Net Charge0
Average Mass1114.020
Monoisotopic Mass1113.40715
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](O)[C@H](O)[C@@H]3O)[C@@H](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](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,6,5/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-4/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1
InChIInChI=1S/C42H71N3O31/c1-10(51)43-19-27(59)33(16(7-49)67-37(19)65)73-39-21(45-12(3)53)28(60)34(17(8-50)71-39)74-41-32(64)35(25(57)18(72-41)9-66-40-31(63)29(61)23(55)14(5-47)69-40)75-42-36(30(62)24(56)15(6-48)70-42)76-38-20(44-11(2)52)26(58)22(54)13(4-46)68-38/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37?,38+,39+,40+,41+,42-/m1/s1
InChIKeyXXZJLDUBXREEDD-QHDWJQPTSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:153406) is a amino hexasaccharide (CHEBI:61855)
β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:153406) is a amino sugar (CHEBI:28963)
β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:153406) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:152391) is a β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:153406)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[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
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→2)-alpha-D-manno-hexopyranosyl-(1→3)-[alpha-D-manno-hexopyranosyl-(1→6)]-beta-D-manno-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
GlcNAc(b1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideChEBI
N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
GlcNAcβ1-2Manα1-3(Manα1-6)Manβ1-4GlcNAcβ1-4GlcNAcIUPAC
Manual XrefsDatabases
G70073SGGlyTouCan
G70073SGGlyGen