4'-α-L-Ara4N-α-Kdo-(2→4)-α-Kdo-(2→6)-[P4'-α-L-ara4N]-lipid A

4'-α-L-Ara4<i>N</i>-α-Kdo-(2→4)-α-Kdo-(2→6)-[P4'-α-L-ara4<i>N</i>]-lipid A




Chemical Formula:
C115H207N3O42P2
Molecular Weight:
2365.843 Daltons
Monoisotopic Mass:
2369.402065969 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])(OC5(C(C(C(CO5)[N+])O)O))=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
InChI:
1S/C115H211N3O42P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-94(129)150-83(66-60-54-48-42-35-29-23-17-11-5)72-96(131)154-108-98(118-92(127)71-82(65-59-53-47-41-34-28-22-16-10-4)149-93(128)67-61-55-49-43-36-30-24-18-12-6)109(147-78-89-102(135)107(153-95(130)70-81(122)64-58-52-46-40-33-27-21-15-9-3)97(110(151-89)159-161(141,142)143)117-91(126)69-80(121)63-57-51-45-39-32-26-20-14-8-2)152-90(106(108)158-162(144,145)160-111-103(136)99(132)84(116)77-146-111)79-148-114(112(137)138)74-88(101(134)105(156-114)87(125)76-120)155-115(113(139)140)73-85(123)100(133)104(157-115)86(124)75-119/h80-90,97-111,119-125,132-136H,7-79,116H2,1-6H3,(H,117,126)(H,118,127)(H,137,138)(H,139,140)(H,144,145)(H2,141,142,143)/p-4/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-,114+,115-/m1/s1
InChIKey:
LXMYMRJTVHRJDS-ONGUXPFGSA-J

Synonyms
  • α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IIA
  • L-Ara4N-modified (KDO)2-Lipid A

Databases
MetaCyc:  L-ARA4N-MODIFIED-KDO2-LIPID-A
PubChem (CID):  102515379
ChEBI:  71399
Seed:  cpd27350
MetaNetX:  MNXM14673