beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp (CHEBI:63852)

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CHEBI:63852 - β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp

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ChEBI ID	CHEBI:63852
ChEBI Name	β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp
Stars
ASCII Name	beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp
Definition	An amino tetrasaccharide comprised of two N-acetylated glucosamine residues, of which one is sulfated on O-6, and two galactosyl residues, of which one is at the reducing end. It is an intermediate in the keratan sulfate degradation pathway.
Last Modified	27 January 2016
Submitter	Bijay
Downloads	Molfile

Formula	C28H48N2O24S
Net Charge	0
Average Mass	828.749
Monoisotopic Mass	828.23177
SMILES	CC(=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](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
InChI	InChI=1S/C28H48N2O24S/c1-7(34)29-13-18(39)15(36)9(3-31)49-26(13)54-24-17(38)11(5-33)50-28(21(24)42)52-22-12(6-47-55(44,45)46)51-27(14(19(22)40)30-8(2)35)53-23-16(37)10(4-32)48-25(43)20(23)41/h9-28,31-33,36-43H,3-6H2,1-2H3,(H,29,34)(H,30,35)(H,44,45,46)/t9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24+,25?,26+,27+,28+/m1/s1
InChIKey	SGOGTNUMDHPCFF-DXEUWILZSA-N

Species of Metabolite	Component	Source	Comments
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-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63852) has role mouse metabolite (CHEBI:75771)
	β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63852) is a amino tetrasaccharide (CHEBI:59412)
	β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63852) is a organic molecular entity (CHEBI:50860)

IUPAC Name
2-acetamido-2-deoxy-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
β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-D-Gal	ChemIDplus
GlcNAc-Gal-GlcNAc(S)-Gal	ChEBI

Manual Xrefs	Databases
G13033	KEGG GLYCAN