heptosyl-Kdo2-lipid A

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




Chemical Formula:
C117H208N2O45P2
Molecular Weight:
2424.864 Daltons
Monoisotopic Mass:
2429.3993858943 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OC(COC3(C(=O)[O-])(O[CH](C(O)CO)C(OC1(O[CH](C(O)CO)C(O)C(O)C(O)1))C(OC2(O[CH](C(CO)O)C(O)C(O)C2)C(=O)[O-])C3))C4OP([O-])([O-])=O)OCC5(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O5))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C117H214N2O45P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-94(132)153-83(66-60-54-48-42-35-29-23-17-11-5)72-96(134)157-110-98(119-92(130)71-82(65-59-53-47-41-34-28-22-16-10-4)152-93(131)67-61-55-49-43-36-30-24-18-12-6)111(150-78-89-100(136)109(156-95(133)70-81(124)64-58-52-46-40-33-27-21-15-9-3)97(112(154-89)164-166(147,148)149)118-91(129)69-80(123)63-57-51-45-39-32-26-20-14-8-2)155-90(108(110)163-165(144,145)146)79-151-116(114(140)141)74-88(160-117(115(142)143)73-84(125)99(135)105(161-117)86(127)76-121)107(106(162-116)87(128)77-122)159-113-103(139)101(137)102(138)104(158-113)85(126)75-120/h80-90,97-113,120-128,135-139H,7-79H2,1-6H3,(H,118,129)(H,119,130)(H,140,141)(H,142,143)(H2,144,145,146)(H2,147,148,149)/p-6/t80-,81-,82-,83-,84-,85+,86-,87-,88-,89-,90-,97-,98-,99-,100-,101+,102+,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,116-,117-/m1/s1
InChIKey:
HPDZKCJEWNZSML-YOZKHJKSSA-H

Synonyms
  • Rd2 LPS

Databases
MetaCyc:  CPD0-929
BiGG:  hlipa
PubChem (CID):  90658115 50909852
ChEBI:  61502
Seed:  cpd15485
MetaNetX:  MNXM2680