glucosyl-(heptosyl)2-Kdo2-lipid A-phosphate
Chemical Formula:
C130H229N2O59P3
Molecular Weight:
2857.138 Daltons
Monoisotopic Mass:
2863.481927852 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC6(C(C(OC(COC5(C(=O)[O-])(O[CH](C(O)CO)C(OC3(O[CH](C(O)CO)C(OP([O-])([O-])=O)C(OC2(O[CH](C(CO)O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))C(O)3))C(OC4(O[CH](C(CO)O)C(O)C(O)C4)C(=O)[O-])C5))C6OP([O-])([O-])=O)OCC7(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O7))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C130H237N2O59P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-98(148)175-85(66-60-54-48-42-35-29-23-17-11-5)72-100(150)180-118-102(132-96(146)71-84(65-59-53-47-41-34-28-22-16-10-4)174-97(147)67-61-55-49-43-36-30-24-18-12-6)122(172-80-93-105(153)117(179-99(149)70-83(139)64-58-52-46-40-33-27-21-15-9-3)101(123(177-93)191-194(169,170)171)131-95(145)69-82(138)63-57-51-45-39-32-26-20-14-8-2)178-94(116(118)189-192(163,164)165)81-173-129(127(159)160)74-91(186-130(128(161)162)73-86(140)103(151)112(187-130)88(142)76-134)115(114(188-129)90(144)78-136)183-126-110(158)120(121(190-193(166,167)168)113(182-126)89(143)77-135)185-125-109(157)119(108(156)111(181-125)87(141)75-133)184-124-107(155)106(154)104(152)92(79-137)176-124/h82-94,101-126,133-144,151-158H,7-81H2,1-6H3,(H,131,145)(H,132,146)(H,159,160)(H,161,162)(H2,163,164,165)(H2,166,167,168)(H2,169,170,171)/p-8/t82-,83-,84-,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,101-,102-,103-,104-,105-,106+,107-,108-,109+,110+,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,123-,124-,125+,126-,129-,130-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD0-933
ChEBI:
61998
Seed:
cpd26539
MetaNetX:
MNXM92347