heparan sulfate alpha-D-glucosaminide 3-sulfate (CHEBI:15981)

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CHEBI:15981 - heparan sulfate α-D-glucosaminide 3-sulfate

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ChEBI ID	CHEBI:15981
ChEBI Name	heparan sulfate α-D-glucosaminide 3-sulfate
Stars
ASCII Name	heparan sulfate alpha-D-glucosaminide 3-sulfate
Definition	A heparan sulfate having an 3-O-sulfo-α-D-glucosaminyl residue at the non-reducing end. The heparan sulfate part consists of a variably sulfated repeating disaccharide unit.
Secondary ChEBI IDs	CHEBI:10157, CHEBI:13557
Last Modified	27 January 2016
Downloads	Molfile

Formula	(C12H19NO19S3)n.C6H13NO8S
Net Charge	0
Average Mass	836.709
Monoisotopic Mass	836.00753
SMILES	N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]3[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]3COS(=O)(=O)O)O[C@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1OS(=O)(=O)O
InChI	InChI=1S/C18H32N2O27S4/c19-5-11(46-50(34,35)36)7(22)3(1-21)42-17(5)44-12-9(24)13(47-51(37,38)39)18(45-14(12)15(25)26)43-10-4(2-40-49(31,32)33)41-16(27)6(8(10)23)20-48(28,29)30/h3-14,16-18,20-24,27H,1-2,19H2,(H,25,26)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/t3-,4-,5-,6-,7-,8-,9+,10-,11-,12+,13-,14-,16+,17-,18-/m1/s1
InChIKey	VSXIOTKSXGXRCF-IMFNMLJDSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Roles:

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	heparan sulfate α-D-glucosaminide 3-sulfate (CHEBI:15981) has role mouse metabolite (CHEBI:75771)
	heparan sulfate α-D-glucosaminide 3-sulfate (CHEBI:15981) is a heparan sulfates (CHEBI:35721)
	heparan sulfate α-D-glucosaminide 3-sulfate (CHEBI:15981) is a heparan α-D-glucosaminide (CHEBI:24495)
	heparan sulfate α-D-glucosaminide 3-sulfate (CHEBI:15981) is conjugate acid of heparan sulfate α-D-glucosaminide 3-sulfate polyanion (CHEBI:70975)
Incoming Relation(s)
Incoming Relation(s)	heparan sulfate α-D-glucosaminide 3-sulfate polyanion (CHEBI:70975) is conjugate base of heparan sulfate α-D-glucosaminide 3-sulfate (CHEBI:15981)

Synonym	Source
[Heparan sulfate]-glucosamine 3-sulfate	KEGG COMPOUND

Manual Xrefs	Databases
C11553	KEGG COMPOUND