(heptosyl)2-Kdo2-lipid A

(heptosyl)<sub>2</sub>-Kdo<sub>2</sub>-lipid A




Chemical Formula:
C124H220N2O51P2
Molecular Weight:
2617.032 Daltons
Monoisotopic Mass:
2621.4627740121 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC5(C(C(OC(COC4(C(=O)[O-])(O[CH](C(O)CO)C(OC2(O[CH](C(O)CO)C(O)C(OC1(O[CH](C(CO)O)C(O)C(O)C(O)1))C(O)2))C(OC3(O[CH](C(CO)O)C(O)C(O)C3)C(=O)[O-])C4))C5OP([O-])([O-])=O)OCC6(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O6))NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
InChI:
1S/C124H226N2O51P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-96(141)164-84(66-60-54-48-42-35-29-23-17-11-5)72-98(143)168-115-100(126-94(139)71-83(65-59-53-47-41-34-28-22-16-10-4)163-95(140)67-61-55-49-43-36-30-24-18-12-6)117(161-79-91-102(145)114(167-97(142)70-82(132)64-58-52-46-40-33-27-21-15-9-3)99(118(165-91)177-179(158,159)160)125-93(138)69-81(131)63-57-51-45-39-32-26-20-14-8-2)166-92(113(115)176-178(155,156)157)80-162-123(121(151)152)74-90(173-124(122(153)154)73-85(133)101(144)110(174-124)88(136)77-129)112(111(175-123)89(137)78-130)171-120-107(150)116(106(149)109(170-120)87(135)76-128)172-119-105(148)103(146)104(147)108(169-119)86(134)75-127/h81-92,99-120,127-137,144-150H,7-80H2,1-6H3,(H,125,138)(H,126,139)(H,151,152)(H,153,154)(H2,155,156,157)(H2,158,159,160)/p-6/t81-,82-,83-,84-,85-,86-,87+,88-,89-,90-,91-,92-,99-,100-,101-,102-,103+,104+,105+,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,116+,117-,118-,119+,120-,123-,124-/m1/s1
InChIKey:
HHPCMWTVGVTYIC-VEFKZDEZSA-H

Synonyms
  • heptosyl2-Kdo2-lipid A
  • heptosyl-heptosyl-Kdo2-lipidA
  • Rd1 LPS

Databases
MetaCyc:  CPD0-930
BiGG:  hhlipa
PubChem (CID):  90659044 134820481
ChEBI:  61507
Seed:  cpd15484
MetaNetX:  MNXM2582