2-O-sulfo-α,α-trehalose

Chemical Formula:

C₁₂H₂₁O₁₄S

Molecular Weight:

421.349 Daltons

Monoisotopic Mass:

422.0730261056 Daltons

SMILES:

C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O)))O

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

InChIKey:

WVFKPISWLUJJIJ-LIZSDCNHSA-M

Databases

MetaCyc: CPD-16663

PubChem (CID): 46878583

ChEBI: 60091

Seed: cpd16051

MetaNetX: MNXM40917

KEGG: C20985