α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A

α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A




Chemical Formula:
C110H196N2O39P2
Molecular Weight:
2232.696 Daltons
Monoisotopic Mass:
2237.3359977765 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC3(C(C(OC(COC2(C(=O)[O-])(O[CH](C(O)CO)C(O)C(OC1(O[CH](C(CO)O)C(O)C(O)C1)C(=O)[O-])C2))C3OP([O-])(=O)[O-])OCC4(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O4))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C110H202N2O39P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)142-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)146-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)141-91(122)67-61-55-49-43-36-30-24-18-12-6)105(144-88(102(104)150-152(133,134)135)78-140-109(107(129)130)74-86(98(127)101(148-109)85(119)76-114)147-110(108(131)132)73-83(117)97(126)100(149-110)84(118)75-113)139-77-87-99(128)103(145-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(143-87)151-153(136,137)138)111-89(120)69-79(115)63-57-51-45-39-32-26-20-14-8-2/h79-88,95-106,113-119,126-128H,7-78H2,1-6H3,(H,111,120)(H,112,121)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/p-6/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,109-,110-/m1/s1
InChIKey:
DIXUKJUHGLIZGU-OIPVZEHTSA-H

Synonyms
  • Re endotoxin
  • (Kdo)2-lipid A
  • Kdo2-lipid A
  • Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)

Databases
MetaCyc:  KDO2-LIPID-A
BiGG:  lipa
PubChem (CID):  91820278 25244473
ChEBI:  58540 27963
KEGG:  C06026
MetaNetX:  MNXM162815
PupChem (SID):  8298
NIKKAJI:  J2.760.960K