heparosan N-sulfate L-iduronic acid (CHEBI:17174)

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CHEBI:17174 - heparosan N-sulfate L-iduronic acid

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ChEBI ID	CHEBI:17174
ChEBI Name	heparosan N-sulfate L-iduronic acid
Stars
ASCII Name	heparosan N-sulfate L-iduronic acid
Definition	A heparan sulfate composed of a backbone of repeating α-L-iduronosyl-(1→4)-N-sulfonyl-α-D-glucosamine units joined by (1→4)-linkages.
Secondary ChEBI IDs	CHEBI:5669, CHEBI:14392, CHEBI:24510
Last Modified	27 January 2016
Downloads	Molfile

Formula	(C12H19NO13S)n.H2O
Net Charge	0
Average Mass	435.360
Monoisotopic Mass	435.06828
SMILES	[H]O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NS(=O)(=O)O
WURCS	WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O][a2121A-1a_1-5]/1-2/a4-b1
InChI	InChI=1S/C12H21NO14S/c14-1-2-8(4(15)3(11(21)25-2)13-28(22,23)24)26-12-7(18)5(16)6(17)9(27-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)(H,22,23,24)/t2-,3-,4-,5+,6+,7-,8-,9-,11+,12-/m1/s1
InChIKey	KNKWELGWBDSUOG-PNRHKHKDSA-N

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

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	heparosan N-sulfate L-iduronic acid (CHEBI:17174) has functional parent L-idopyranuronic acid (CHEBI:47903)
	heparosan N-sulfate L-iduronic acid (CHEBI:17174) has role mouse metabolite (CHEBI:75771)
	heparosan N-sulfate L-iduronic acid (CHEBI:17174) is a heparan sulfates (CHEBI:35721)
	heparosan N-sulfate L-iduronic acid (CHEBI:17174) is a iduronic acids (CHEBI:33897)
	heparosan N-sulfate L-iduronic acid (CHEBI:17174) is conjugate acid of heparosan N-sulfate L-iduronate polyanion (CHEBI:58041)
Incoming Relation(s)
Incoming Relation(s)	heparosan N-sulfate L-iduronate polyanion (CHEBI:58041) is conjugate base of heparosan N-sulfate L-iduronic acid (CHEBI:17174)

IUPAC Name
poly[(1→4)-(α-L-idopyranosyluronic acid)-(1→4)-2-deoxy-2-sulfoamino-α-D-glucopyranosyl]

Synonyms	Source
Heparosan-N-sulfate L-iduronate	KEGG COMPOUND
poly[(1→4)-α-L-iduronosyl-(1→4)-N-sulfo-α-D-glucosaminyl]	IUBMB
[4)-α-L-IdoA-(1→4)-α-D-GlcNS-(1→]_n	ChEBI
[4)-α-L-IdopA-(1→4)-α-D-GlcpNS-(1→]_n	ChEBI

Manual Xrefs	Databases
C04073	KEGG COMPOUND

Citations