CHEBI:151717 - β-D-GlcpA3S-(1→3)-2,5-anhydro-D-Glc-OH

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ChEBI Name β-D-GlcpA3S-(1→3)-2,5-anhydro-D-Glc-OH
ChEBI ID CHEBI:151717
ChEBI ASCII Name beta-D-GlcpA3S-(1->3)-2,5-anhydro-D-Glc-OH
Definition A glycosyl alditol derivative consisting of 2-O-sulfo-β-D-glucopyranuronic acid and 2,5-anhydro-D-glucitol joined in sequence by a (1→3) glycosidic bond.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C12H20O14S
Net Charge 0
Average Mass 420.340
Monoisotopic Mass 420.05738
InChI InChI=1S/C12H20O14S/c13-1-3-5(15)8(4(2-14)23-3)24-12-10(26-27(20,21)22)7(17)6(16)9(25-12)11(18)19/h3-10,12-17H,1-2H2,(H,18,19)(H,20,21,22)/t3-,4+,5-,6+,7+,8-,9+,10-,12-/m1/s1
InChIKey DDYCXZGXLDZOJS-VAPUBDCXSA-N
SMILES S(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O[C@H]2CO)CO)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-D-GlcpA3S-(1→3)-2,5-anhydro-D-Glc-OH (CHEBI:151717) is a glycosyl alditol derivative (CHEBI:63424)
β-D-GlcpA3S-(1→3)-2,5-anhydro-D-Glc-OH (CHEBI:151717) is a monocarboxylic acid (CHEBI:25384)
β-D-GlcpA3S-(1→3)-2,5-anhydro-D-Glc-OH (CHEBI:151717) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name
2,5-anhydro-3-O-(2-O-sulfo-β-D-glucopyranuronosyl)-D-glucitol
Synonyms Sources
(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid IUPAC
WURCS=2.0/2,2,1/[h1122h_2-5][a2122A-1b_1-5_2*OSO/3=O/3=O]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G53433AN GlyTouCan
G53433AN GlyGen
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Last Modified
24 July 2020