SL1278
Chemical Formula:
C65H123O17S
Molecular Weight:
1208.736 Daltons
Monoisotopic Mass:
1208.8559232461 Daltons
SMILES:
CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(CC(CC(C)C(OC1(C(C(OC(C1OC(=O)CCCCCCCCCCCCCCC)OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O))CO)O))=O)C)C
InChI:
1S/C65H124O17S/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-53(68)51(8)42-49(6)40-47(4)38-46(3)39-48(5)41-50(7)43-52(9)63(73)80-60-58(71)55(45-67)78-65(81-64-61(82-83(74,75)76)59(72)57(70)54(44-66)77-64)62(60)79-56(69)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h46-55,57-62,64-68,70-72H,10-45H2,1-9H3,(H,74,75,76)/p-1/t46-,47+,48-,49+,50-,51+,52-,53+,54+,55+,57+,58+,59-,60-,61+,62+,64+,65+/m0/s1
InChIKey:
Synonyms
- 2-O-sulfo-2',3'-diacyl-α,α-trehalose
- 2',3'-diacyl-α,α-trehalose-2-sulfate
- 3'-hydroxyphthioceranyl-2'-palmitoyl-2-O-sulfo-α,α-trehalose
Databases
MetaCyc:
CPD-18706
PubChem (CID):
122706524
ChEBI:
60093
MetaNetX:
MNXM82192