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CHEBI:63846 - β-D-Galp6S-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp

ChEBI IDCHEBI:63846
ChEBI Nameβ-D-Galp6S-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp
Stars
ASCII Namebeta-D-Galp6S-(1->4)-beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp
DefinitionAn amino pentasaccharide comprised of two N-acetylated glucosamine residues sulfated on O-6, and three galactosyl residues, one of which (at the non-reducing end) is sulfated on O-6 while another of which is at the reducing end. It is an intermediate in the keratan sulfate degradation pathway.
Last Modified27 January 2016
SubmitterBijay
DownloadsMolfile
FormulaC34H58N2O35S3
Net Charge0
Average Mass1151.018
Monoisotopic Mass1150.19822
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4O)O[C@@H]3COS(=O)(=O)O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C34H58N2O35S3/c1-8(39)35-15-21(45)27(14(7-62-74(57,58)59)66-31(15)70-28-18(42)10(3-37)63-30(50)24(28)48)69-34-25(49)29(19(43)11(4-38)64-34)71-32-16(36-9(2)40)20(44)26(13(67-32)6-61-73(54,55)56)68-33-23(47)22(46)17(41)12(65-33)5-60-72(51,52)53/h10-34,37-38,41-50H,3-7H2,1-2H3,(H,35,39)(H,36,40)(H,51,52,53)(H,54,55,56)(H,57,58,59)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+,30?,31+,32+,33+,34+/m1/s1
InChIKeyIPSMOUOOQLUTHC-OVYIXGPZSA-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-Galp6S-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63846) has role mouse metabolite (CHEBI:75771)
β-D-Galp6S-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63846) is a amino pentasaccharide (CHEBI:59268)
IUPAC Name 
6-O-sulfo-β-D-galactopyranosyl-(1→4)-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
Synonym  Source
β-D-Gal6S-(1→4)-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-D-GalChEBI
Manual XrefsDatabases
G13031KEGG GLYCAN