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CHEBI:152304 - α-L-IdopA-(1→3)-2,5-anhydro-D-Glc-OH4S

ChEBI IDCHEBI:152304
ChEBI Nameα-L-IdopA-(1→3)-2,5-anhydro-D-Glc-OH4S
Stars
ASCII Namealpha-L-IdopA-(1->3)-2,5-anhydro-D-Glc-OH4S
DefinitionA glycosyl alditol derivative consisting of an α-L-idopyranuronic acid residue and a 2,5-anhydro-4-O-sulfo-D-glucitol residue 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](OS(=O)(=O)O)[C@@H](CO)O[C@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[h1122h_2-5_3*OSO/3=O/3=O][a2121A-1a_1-5]/1-2/a4-b1
InChIInChI=1S/C12H20O14S/c13-1-3-8(9(4(2-14)23-3)26-27(20,21)22)24-12-7(17)5(15)6(16)10(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+/m0/s1
InChIKeyNLCLQLKQHHNUAD-UENBAWBJSA-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)
α-L-IdopA-(1→3)-2,5-anhydro-D-Glc-OH4S (CHEBI:152304) has functional parent α-L-iduronic acid (CHEBI:43394)
α-L-IdopA-(1→3)-2,5-anhydro-D-Glc-OH4S (CHEBI:152304) is a glycosyl alditol derivative (CHEBI:63424)
α-L-IdopA-(1→3)-2,5-anhydro-D-Glc-OH4S (CHEBI:152304) is a monocarboxylic acid (CHEBI:25384)
α-L-IdopA-(1→3)-2,5-anhydro-D-Glc-OH4S (CHEBI:152304) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
2,5-anhydro-3-O-α-L-idopyranuronosyl-4-O-sulfo-D-glucitol
Synonym  Source
(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-2,5-bis(hydroxymethyl)-4-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidIUPAC
Manual XrefsDatabases
G61251HFGlyTouCan
G61251HFGlyGen