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CHEBI:147652 - β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:147652
ChEBI Nameβ-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)-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)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-D-GlcpNAc
DefinitionA branched amino heptasaccharide derivative that is β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc in which the mannosyl group is substituted at position 3 by a β-D-GlcNAc-(1→2)-α-D-Man group and at position 6 by an α-D-Man-(1→6)-α-D-Man group.
Last Modified28 September 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC48H81N3O36
Net Charge0
Average Mass1276.161
Monoisotopic Mass1275.45998
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](O)[C@@H]4O)[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=2.0/4,7,6/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-4-4/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f6-g1
InChIInChI=1S/C48H81N3O36/c1-11(57)49-21-30(66)38(17(7-55)77-42(21)74)84-44-23(51-13(3)59)31(67)39(18(8-56)81-44)85-47-37(73)40(86-48-41(34(70)26(62)16(6-54)80-48)87-43-22(50-12(2)58)29(65)24(60)14(4-52)78-43)28(64)20(83-47)10-76-46-36(72)33(69)27(63)19(82-46)9-75-45-35(71)32(68)25(61)15(5-53)79-45/h14-48,52-56,60-74H,4-10H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)/t14-,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?,43+,44+,45+,46+,47+,48-/m1/s1
InChIKeyKHWWLDAKYGPLRO-GMHSFUCFSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:147652) is a amino heptasaccharide (CHEBI:70970)
β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:147652) is a amino sugar (CHEBI:28963)
β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→6)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:147652) is a glucosamine oligosaccharide (CHEBI:22485)
Synonyms  Source
GlcNAc(b1-2)Man(a1-3)[Man(a1-6)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→2)-alpha-D-manno-hexopyranosyl-(1→3)-[alpha-D-manno-hexopyranosyl-(1→6)-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
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-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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)-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamineChEBI
GlcNAcβ1-2Manα1-3(Manα1-6Manα1-6)Manβ1-4GlcNAcβ1-4GlcNAcIUPAC
β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-D-Man-(1→6)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-GlcNAc-(1→4)-D-GlcNAcChEBI
Manual XrefsDatabases
G17336FFGlyTouCan
G17336FFGlyGen
Citations