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CHEBI:63851 - β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp

ChEBI IDCHEBI:63851
ChEBI Nameβ-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp
Stars
ASCII Namebeta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp
DefinitionAn amino tetrasaccharide comprised of two N-acetylated glucosamine residues sulfated on O-6, of which one is at the non-reducing end, and two galactosyl residues, of which one is at the reducing end. It is an intermediate in the keratan sulfate degradation pathway.
Last Modified13 April 2021
SubmitterBijay
DownloadsMolfile
FormulaC28H48N2O27S2
Net Charge0
Average Mass908.813
Monoisotopic Mass908.18859
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5]/1-2-3-2/a3-b1_b4-c1_c3-d1
InChIInChI=1S/C28H48N2O27S2/c1-7(33)29-13-18(38)15(35)11(5-49-58(43,44)45)53-26(13)57-24-17(37)10(4-32)52-28(21(24)41)55-22-12(6-50-59(46,47)48)54-27(14(19(22)39)30-8(2)34)56-23-16(36)9(3-31)51-25(42)20(23)40/h9-28,31-32,35-42H,3-6H2,1-2H3,(H,29,33)(H,30,34)(H,43,44,45)(H,46,47,48)/t9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24+,25?,26+,27+,28+/m1/s1
InChIKeyYQKNCCREYRQTLA-DXEUWILZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63851) has role mouse metabolite (CHEBI:75771)
β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63851) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Name 
2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-D-galactopyranose
Synonyms  Source
GlcNAc(S)-Gal-GlcNAc(S)-GalChEBI
β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-D-GalChEBI
Manual XrefsDatabases
G06780KEGG GLYCAN
G80016QCGlyTouCan