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CHEBI:60114 - α,α-trehalose-2-sulfate

ChEBI IDCHEBI:60114
ChEBI Nameα,α-trehalose-2-sulfate
Stars
ASCII Namealpha,alpha-trehalose-2-sulfate
DefinitionThe 2-O-sulfo derivative of α,α-trehalose.
Last Modified24 August 2010
SubmitterSteve
DownloadsMolfile
FormulaC12H22O14S
Net Charge0
Average Mass422.361
Monoisotopic Mass422.07303
SMILESO=S(=O)(O)O[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O14S/c13-1-3-5(15)7(17)9(19)11(23-3)25-12-10(26-27(20,21)22)8(18)6(16)4(2-14)24-12/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChIKeyWVFKPISWLUJJIJ-LIZSDCNHSA-N
ChEBI Ontology
Outgoing Relation(s)
α,α-trehalose-2-sulfate (CHEBI:60114) has functional parent α,α-trehalose (CHEBI:16551)
α,α-trehalose-2-sulfate (CHEBI:60114) is a trehalose sulfate (CHEBI:60117)
α,α-trehalose-2-sulfate (CHEBI:60114) is conjugate acid of α,α-trehalose-2-sulfate(1−) (CHEBI:60091)
Incoming Relation(s)
α,α-trehalose-2-sulfate(1−) (CHEBI:60091) is conjugate base of α,α-trehalose-2-sulfate (CHEBI:60114)
IUPAC Name 
2-O-sulfo-α-D-glucopyranosyl α-D-glucopyranoside
Synonyms  Source
Trehalose 2-sulfateChemIDplus
2-SulfotrehaloseChemIDplus
2-O-SulfotrehaloseChemIDplus
Registry NumbersSources
Beilstein:1668481Beilstein
CAS:141923-45-7ChemIDplus