CHEBI:147991 - 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS

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ChEBI Name 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS
ChEBI ID CHEBI:147991
ChEBI ASCII Name 2-O-sulfo-beta-L-threo-hex-4-enopyranuronosyl-(1->4)-beta-D-GlcpNS
Definition An oligosaccharide sulfate consisting of 2-O-sulfo-β-L-threo-hex-4-enopyranuronose and 2-deoxy-2-(sulfoamino)-β-D-glucopyranose joined in sequence by a (1→4) glycosidic bond.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C12H19NO17S2
Net Charge 0
Average Mass 513.390
Monoisotopic Mass 513.00944
InChI InChI=1S/C12H19NO17S2/c14-1-2-7(4(15)3(11(20)27-2)13-31(21,22)23)28-12-9(30-32(24,25)26)6(17)5(16)8(29-12)10(18)19/h2-4,6-7,9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,6+,7-,9-,11-,12+/m1/s1
InChIKey OEMNEHZTAKEHFK-XEWZJVERSA-N
SMILES O1[C@@H]([C@@H](O[C@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@@H](NS(O)(=O)=O)[C@@H]1O)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a disaccharide (CHEBI:36233)
2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a enol (CHEBI:33823)
2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a monocarboxylic acid (CHEBI:25384)
2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a oligosaccharide sulfate (CHEBI:37909)
2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-GlcpNS (CHEBI:147991) is a sulfamic acids (CHEBI:35719)
IUPAC Name
2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-β-L-threo-hex-4-enopyranuronosyl)-β-D-glucopyranose
Synonyms Sources
(2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NSO/3=O/3=O][a21EEA-1b_1-5_2*OSO/3=O/3=O]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G13045SZ GlyTouCan
G13045SZ GlyGen
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Last Modified
15 May 2020