(Q27127070)

2-O-sulfo-alpha,alpha-trehalose (English)

6 October 2016

chemical formula

C₁₂H₂₁O₁₄S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)OS(=O)(=O)[O-])O)O)O)O

1 reference

2-O-sulfo-alpha,alpha-trehalose (English)

6 October 2016

isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)[O-])O)O)O)O

1 reference

2-O-sulfo-alpha,alpha-trehalose (English)

InChI=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)/p-1/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

2-O-sulfo-alpha,alpha-trehalose (English)

WVFKPISWLUJJIJ-LIZSDCNHSA-M

6 October 2016

InChIKey

2 references

2-O-sulfo-alpha,alpha-trehalose (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-O-Sulfonato-alpha-D-glucopyranosyl alpha-D-glucopyranoside (English)

6 October 2016

1 reference

2-O-sulfo-alpha,alpha-trehalose (English)

6 October 2016

ChEBI ID

60091

mapping relation type

1 reference