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CHEBI:17831 - heparosan-N-sulfate D-glucuronic acid

ChEBI IDCHEBI:17831
ChEBI Nameheparosan-N-sulfate D-glucuronic acid
Stars
ASCII Nameheparosan-N-sulfate D-glucuronic acid
DefinitionA heparan sulfate composed of a backbone of repeating β-D-glucuronosyl-(1→4)-N-sulfonyl-α-D-glucosamine units joined by (1→4)-linkages.
Secondary ChEBI IDsCHEBI:5668, CHEBI:14391, CHEBI:24509
Last Modified27 January 2016
DownloadsMolfile
Formula(C12H19NO13S)n.H2O
Net Charge0
Average Mass435.360
Monoisotopic Mass435.06828
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
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O][a2122A-1b_1-5]/1-2/a4-b1
InChIInChI=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
InChIKeyKNKWELGWBDSUOG-OYQIKJLFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
heparosan-N-sulfate D-glucuronic acid (CHEBI:17831) has role mouse metabolite (CHEBI:75771)
heparosan-N-sulfate D-glucuronic acid (CHEBI:17831) is a D-glucopyranuronic acid (CHEBI:47952)
heparosan-N-sulfate D-glucuronic acid (CHEBI:17831) is a glucuronic acids (CHEBI:33886)
heparosan-N-sulfate D-glucuronic acid (CHEBI:17831) is a heparan sulfates (CHEBI:35721)
heparosan-N-sulfate D-glucuronic acid (CHEBI:17831) is conjugate acid of heparosan-N-sulfate D-glucuronate (CHEBI:58287)
Incoming Relation(s)
heparosan-N-sulfate D-glucuronate (CHEBI:58287) is conjugate base of heparosan-N-sulfate D-glucuronic acid (CHEBI:17831)
IUPAC Name 
poly[(1→4)-(β-D-glucopyranosyluronic acid)-(1→4)-2-deoxy-2-sulfoamino-α-D-glucopyranosyl]
Synonyms  Source
Heparosan-N-sulfate D-glucuronateKEGG COMPOUND
poly[(1→4)-β-D-glucuronosyl-(1→4)-N-sulfo-α-D-glucosaminyl]IUBMB
[4)-β-D-GlcpA-(1→4)-α-D-GlcpNS-(1→]nChEBI
[4)-β-D-GlcA-(1→4)-α-D-GlcNS-(1→]nChEBI
Manual XrefsDatabases
C04196KEGG COMPOUND
Citations