EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:64453 - α-D-Man-(1→3)-[α-D-Man-(1→6)-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)]-D-GlcNAc

ChEBI IDCHEBI:64453
ChEBI Nameα-D-Man-(1→3)-[α-D-Man-(1→6)-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)]-D-GlcNAc
Stars
ASCII Namealpha-D-Man-(1->3)-[alpha-D-Man-(1->6)-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)]-D-GlcNAc
DefinitionA branched amino hexasaccharide consisting of a GlcNAc residue at the reducing end with a Man-α(1→6)-[Xyl-β(1→2)]-Man-β(1→4)-GlcNAc moiety attached via a β-(1→4)-linkage and a Man residue attached via an α-(1→3)-linkage.
Last Modified1 May 2012
SubmitterSteve
DownloadsMolfile
FormulaC39H66N2O30
Net Charge0
Average Mass1042.941
Monoisotopic Mass1042.37004
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[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]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C39H66N2O30/c1-9(46)40-17-23(53)30(14(5-44)66-35(17)69-31-15(6-45)63-34(60)18(41-10(2)47)32(31)70-38-29(59)25(55)21(51)13(4-43)65-38)68-39-33(71-37-27(57)19(49)11(48)7-61-37)26(56)22(52)16(67-39)8-62-36-28(58)24(54)20(50)12(3-42)64-36/h11-39,42-45,48-60H,3-8H2,1-2H3,(H,40,46)(H,41,47)/t11-,12-,13-,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+/m1/s1
InChIKeyHKWJHEOVSGFYEH-QUJWUKQZSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Man-(1→3)-[α-D-Man-(1→6)-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)]-D-GlcNAc (CHEBI:64453) is a amino hexasaccharide (CHEBI:61855)
α-D-Man-(1→3)-[α-D-Man-(1→6)-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)]-D-GlcNAc (CHEBI:64453) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)-[β-D-xylopyranosyl-(1→2)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→6)-[β-D-xylosyl-(1→2)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)]-N-acetyl-D-glucosamineChEBI
α-D-Manp-(1→3)-[α-D-Manp-(1→6)-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAcChEBI