beta-D-GlcA-(1->4)-alpha-D-GlcNAc6S-(1->4)-D-GlcA (CHEBI:65144)

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CHEBI:65144 - β-D-GlcA-(1→4)-α-D-GlcNAc6S-(1→4)-D-GlcA

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ChEBI ID	CHEBI:65144
ChEBI Name	β-D-GlcA-(1→4)-α-D-GlcNAc6S-(1→4)-D-GlcA
Stars
ASCII Name	beta-D-GlcA-(1->4)-alpha-D-GlcNAc6S-(1->4)-D-GlcA
Definition	A linear amino trisaccharide that consists of a 6-sulfated N-acetyl-α-D-glucosamyl residue flanked by two β-D-glucuronic acid units connected by (1→4)-linkages. An intermediate glycan involved in the degradation of heparan sulfate.
Last Modified	27 January 2016
Submitter	Bijay
Downloads	Molfile

Formula	C20H31NO21S
Net Charge	0
Average Mass	653.521
Monoisotopic Mass	653.11093
SMILES	CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChI	InChI=1S/C20H31NO21S/c1-3(22)21-5-6(23)12(40-20-11(28)7(24)8(25)14(42-20)16(29)30)4(2-37-43(34,35)36)38-19(5)41-13-9(26)10(27)18(33)39-15(13)17(31)32/h4-15,18-20,23-28,33H,2H2,1H3,(H,21,22)(H,29,30)(H,31,32)(H,34,35,36)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13+,14+,15+,18?,19-,20-/m1/s1
InChIKey	GPVUMDXYYUIUAP-DICUPYAKSA-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-GlcA-(1→4)-α-D-GlcNAc6S-(1→4)-D-GlcA (CHEBI:65144) has role mouse metabolite (CHEBI:75771)
	β-D-GlcA-(1→4)-α-D-GlcNAc6S-(1→4)-D-GlcA (CHEBI:65144) is a amino trisaccharide (CHEBI:59266)
	β-D-GlcA-(1→4)-α-D-GlcNAc6S-(1→4)-D-GlcA (CHEBI:65144) is a carbohydrate acid derivative (CHEBI:63436)
	β-D-GlcA-(1→4)-α-D-GlcNAc6S-(1→4)-D-GlcA (CHEBI:65144) is a oligosaccharide sulfate (CHEBI:37909)

IUPAC Name
β-D-glucopyranuronosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranosyl-(1→4)-D-glucopyranuronic acid

Synonyms	Source
β-D-glucuronosyl-(1→4)-6-O-sulfo-N-acetyl-α-D-glucosaminyl-(1→4)-D-glucuronic acid	ChEBI
β-D-GlcpA-(1→4)-α-D-GlcpNAc6S-(1→4)-D-GlcpA	ChEBI
(GlcA)2 (GlcNAc)1 (S)1	KEGG GLYCAN

Manual Xrefs	Databases
G13040	KEGG GLYCAN