2-O-sulfo-2'-stearoyl-α,α-trehalose

Chemical Formula:

C₃₀H₅₅O₁₅S

Molecular Weight:

687.815 Daltons

Monoisotopic Mass:

688.3339918191 Daltons

SMILES:

CCCCCCCCCCCCCCCCCC(OC1(C(C(C(OC1OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O))CO)O)O))=O

InChI:

1S/C30H56O15S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(33)43-27-25(36)23(34)20(18-31)41-29(27)44-30-28(45-46(38,39)40)26(37)24(35)21(19-32)42-30/h20-21,23-32,34-37H,2-19H2,1H3,(H,38,39,40)/p-1/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1

InChIKey:

FJSYDIDIVMGPGY-VEFFTAHGSA-M

Synonyms

2'-stearoyl-trehalose-2 sulfate

Databases

MetaCyc: CPD-18713

PubChem (CID): 122706409

MetaNetX: MNXM165579

ChEBI: 142478