EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:82646 - α-D-Man-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc

ChEBI IDCHEBI:82646
ChEBI Nameα-D-Man-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc
Stars
ASCII Namealpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc
DefinitionAn amino nonasaccharide that is the linear hexasaccharide α-D-Man-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc in which the mannosyl residue nearest the reducing end has the branched trisaccharide α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man attached at position 6.
Last Modified20 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC58H98N2O46
Net Charge0
Average Mass1559.390
Monoisotopic Mass1558.53907
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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[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]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,9,8/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1_g6-i1
InChIInChI=1S/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-56-43(88)47(104-57-49(38(83)29(74)17(6-64)96-57)106-58-48(37(82)28(73)18(7-65)97-58)105-55-41(86)36(81)27(72)16(5-63)95-55)31(76)22(100-56)11-91-53-42(87)46(103-54-40(85)35(80)26(71)15(4-62)94-54)30(75)21(99-53)10-90-52-39(84)34(79)25(70)14(3-61)93-52/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/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+,49+,50?,51+,52+,53+,54-,55-,56+,57-,58-/m1/s1
InChIKeyGLEIMNFBCWCWPW-QOTBAUSGSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Man-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc (CHEBI:82646) is a (Hex)6,7(HexNAc)2 (CHEBI:83238)
α-D-Man-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc (CHEBI:82646) is a amino nonasaccharide (CHEBI:68818)
α-D-Man-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc (CHEBI:82646) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)]-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
α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAcChEBI
(GlcNAc)2 (Man)7KEGG GLYCAN
Man7GlcNAc2ChEBI
α-D-mannosyl-(1→2)-α-D-mannosyl-(1→2)-α-D-mannosyl-(1→3)-[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
Manual XrefsDatabases
G00312KEGG GLYCAN
G40198ODGlyTouCan
G40198ODGlyGen
Registry NumbersSources
Reaxys:5424091Reaxys
Citations