beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp (CHEBI:63850)

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CHEBI:63850 - β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp

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ChEBI ID	CHEBI:63850
ChEBI Name	β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp
Stars
ASCII Name	beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp
Definition	An amino pentasaccharide comprised of two N-acetylated glucosamine residues sulfated on O-6, and three galactosyl residues, of which one is at the reducing end and another is at the non-reducing end. It is an intermediate in the keratan sulfate degradation pathway.
Last Modified	27 January 2016
Submitter	Bijay
Downloads	Molfile

Formula	C34H58N2O31S2
Net Charge	0
Average Mass	1054.955
Monoisotopic Mass	1054.24650
SMILES	CC(=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)[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]2O)[C@@H]1O
InChI	InChI=1S/C34H58N2O31S2/c1-8(40)35-15-20(45)26(13(6-57-68(52)53)62-31(15)66-28-18(43)11(4-38)59-30(51)24(28)49)65-34-25(50)29(19(44)12(5-39)61-34)67-32-16(36-9(2)41)21(46)27(14(63-32)7-58-69(54,55)56)64-33-23(48)22(47)17(42)10(3-37)60-33/h10-34,37-39,42-51H,3-7H2,1-2H3,(H,35,40)(H,36,41)(H,52,53)(H,54,55,56)/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
InChIKey	DMEDGGLTJHWJBH-OVYIXGPZSA-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-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63850) has role mouse metabolite (CHEBI:75771)
	β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc6S-(1→3)-D-Galp (CHEBI:63850) is a amino pentasaccharide (CHEBI:59268)

IUPAC Name
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-sulfino-β-D-glucopyranosyl-(1→3)-D-galactopyranose

Synonyms	Source
Gal-GlcNAc(S)-Gal-GlcNAc(S)-Gal	ChEBI
β-D-Gal6S-(1→4)-β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc6S-(1→3)-D-Gal	ChEBI

Manual Xrefs	Databases
G13032	KEGG GLYCAN