glucosyl-(heptosyl)3-Kdo2-lipid A-bisphosphate
Chemical Formula:
C137H240N2O68P4
Molecular Weight:
3127.27 Daltons
Monoisotopic Mass:
3135.5116463782 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC7(C(C(OC(COC6(C(=O)[O-])(O[CH](C(O)CO)C(OC4(O[CH](C(O)CO)C(OP([O-])([O-])=O)C(OC3(O[CH](C(COC1(O[CH](C(O)CO)C(O)C(O)C(O)1))O)C(OP([O-])(=O)[O-])C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)3))C(O)4))C(OC5(O[CH](C(CO)O)C(O)C(O)C5)C(=O)[O-])C6))C7OP([O-])([O-])=O)OCC8(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O8))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C137H250N2O68P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-100(156)189-86(66-60-54-48-42-35-29-23-17-11-5)72-102(158)194-123-104(139-98(154)71-85(65-59-53-47-41-34-28-22-16-10-4)188-99(155)67-61-55-49-43-36-30-24-18-12-6)128(186-81-95-107(161)122(193-101(157)70-84(146)64-58-52-46-40-33-27-21-15-9-3)103(129(191-95)207-211(182,183)184)138-97(153)69-83(145)63-57-51-45-39-32-26-20-14-8-2)192-96(121(123)204-208(173,174)175)82-187-136(134(169)170)74-93(201-137(135(171)172)73-87(147)105(159)116(202-137)89(149)76-141)120(119(203-136)91(151)78-143)198-132-113(167)124(126(205-209(176,177)178)117(196-132)90(150)77-142)200-133-114(168)125(199-131-112(166)108(162)106(160)94(79-144)190-131)127(206-210(179,180)181)118(197-133)92(152)80-185-130-111(165)109(163)110(164)115(195-130)88(148)75-140/h83-96,103-133,140-152,159-168H,7-82H2,1-6H3,(H,138,153)(H,139,154)(H,169,170)(H,171,172)(H2,173,174,175)(H2,176,177,178)(H2,179,180,181)(H2,182,183,184)/p-10/t83-,84-,85-,86-,87-,88+,89-,90+,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-,108+,109+,110+,111+,112-,113+,114+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130+,131-,132-,133+,136-,137-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD0-935
ChEBI:
62000
Seed:
cpd26541
MetaNetX:
MNXM92348