2-palmitoyl-3-mycolipenoyl-trehalose

Chemical Formula:

C₅₅H₁₀₂O₁₃

Monoisotopic Mass:

970.7320433615 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCC(CC(C=C(C(OC1(C(C(OC(C1OC(=O)CCCCCCCCCCCCCCC)OC2(OC(C(C(C2O)O)O)CO))CO)O))=O)C)C)C

InChI:

1S/C55H102O13/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-35-41(3)37-42(4)38-43(5)53(63)67-51-48(60)45(40-57)65-55(68-54-50(62)49(61)47(59)44(39-56)64-54)52(51)66-46(58)36-34-32-30-28-26-23-19-17-15-13-11-9-7-2/h38,41-42,44-45,47-52,54-57,59-62H,6-37,39-40H2,1-5H3/b43-38+/t41?,42?,44-,45-,47-,48-,49+,50-,51+,52-,54-,55-/m1/s1

InChIKey:

ZIELOUJAZRVMRJ-QWPJCSSRSA-N

Synonyms

2,3-diacyltrehalose

Databases

MetaCyc: CPD-18565

MetaNetX: MNXM164422

PubChem (CID): 102515322