EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87995 - β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-GlcpNAc

Default Structure
ChEBI IDCHEBI:87995
ChEBI Nameβ-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[beta-D-GlcpNAc-(1->3)]-beta-D-Galp-(1->4)-D-GlcpNAc
DefinitionA branched amino hexasaccharide comprising a linear trisaccharide of N-acetyl-β-D-glucosamine, β-D-galactose and N-acetyl-D-glucosamine residues linked sequentially (1→3) and (1→4), to the galactose residue of which is also linked (1→6) a linear N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl string.
Last Modified26 February 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC44H74N4O31
Net Charge0
Average Mass1155.073
Monoisotopic Mass1154.43370
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C44H74N4O31/c1-11(54)45-21-31(64)35(18(8-52)70-39(21)68)76-44-34(67)38(79-42-23(47-13(3)56)30(63)26(59)16(6-50)72-42)28(61)20(75-44)10-69-40-24(48-14(4)57)32(65)36(19(9-53)74-40)77-43-33(66)37(27(60)17(7-51)73-43)78-41-22(46-12(2)55)29(62)25(58)15(5-49)71-41/h15-44,49-53,58-68H,5-10H2,1-4H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)/t15-,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+/m1/s1
InChIKeyLEDNAUNJGPHZDO-NFFROXDMSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:87995) is a amino hexasaccharide (CHEBI:61855)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:87995) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
N-acetyl-β-D-glucosaminyl-(1→3)-[N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamineChEBI
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3)Galb1-4GlcNAcChEBI
GlcNAcβ1-3Galβ1-4GlcNAcβ1-6(GlcNAcβ1-3)Galβ1-4GlcNAcChEBI
β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[β-D-GlcNAc-(1→3)]-β-D-Gal-(1→4)-D-GlcNAcChEBI
Citations