EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:151717
ChEBI Nameβ-D-GlcpA3S-(1→3)-2,5-anhydro-D-Glc-OH
Stars
ASCII Namebeta-D-GlcpA3S-(1->3)-2,5-anhydro-D-Glc-OH
DefinitionA 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.
Last Modified24 July 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H20O14S
Net Charge0
Average Mass420.345
Monoisotopic Mass420.05738
SMILESO=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H]2CO)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[h1122h_2-5][a2122A-1b_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=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
InChIKeyDDYCXZGXLDZOJS-VAPUBDCXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Synonym  Source
(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 acidIUPAC
Manual XrefsDatabases
G53433ANGlyTouCan
G53433ANGlyGen