α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A 1-diphosphate
Chemical Formula:
C110H196N2O42P3
Molecular Weight:
2311.668 Daltons
Monoisotopic Mass:
2317.3023281849 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC3(C(C(OC(COC2(C(=O)[O-])(O[CH](C(O)CO)C(O)C(OC1(O[CH](C(CO)O)C(O)C(O)C1)C(=O)[O-])C2))C3OP([O-])(=O)[O-])OCC4(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)(OP([O-])(=O)[O-])[O-])O4))NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
InChI:
1S/C110H203N2O42P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)144-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)148-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)143-91(122)67-61-55-49-43-36-30-24-18-12-6)105(146-88(102(104)152-155(133,134)135)78-142-109(107(129)130)74-86(98(127)101(150-109)85(119)76-114)149-110(108(131)132)73-83(117)97(126)100(151-110)84(118)75-113)141-77-87-99(128)103(147-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(145-87)153-157(139,140)154-156(136,137)138)111-89(120)69-79(115)63-57-51-45-39-32-26-20-14-8-2/h79-88,95-106,113-119,126-128H,7-78H2,1-6H3,(H,111,120)(H,112,121)(H,129,130)(H,131,132)(H,139,140)(H2,133,134,135)(H2,136,137,138)/p-7/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,109-,110-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-17530
MetaNetX:
MNXM166958
ChEBI:
85271