Kdo-lipid A
Chemical Formula:
C102H185N2O32P2
Molecular Weight:
2013.525 Daltons
Monoisotopic Mass:
2017.2776950366 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC2(C(C(OC(COC1(C(=O)[O-])(O[CH](C(O)CO)C(O)C(O)C1))C2OP([O-])(=O)[O-])OCC3(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O3))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C102H190N2O32P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-88(113)129-80(66-60-54-48-42-35-29-23-17-11-5)72-90(115)133-98-92(104-86(111)71-79(65-59-53-47-41-34-28-22-16-10-4)128-87(112)67-61-55-49-43-36-30-24-18-12-6)99(131-84(96(98)135-137(120,121)122)76-127-102(101(118)119)73-81(108)93(116)95(134-102)82(109)74-105)126-75-83-94(117)97(132-89(114)70-78(107)64-58-52-46-40-33-27-21-15-9-3)91(100(130-83)136-138(123,124)125)103-85(110)69-77(106)63-57-51-45-39-32-26-20-14-8-2/h77-84,91-100,105-109,116-117H,7-76H2,1-6H3,(H,103,110)(H,104,111)(H,118,119)(H2,120,121,122)(H2,123,124,125)/p-5/t77-,78-,79-,80-,81-,82-,83-,84-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,102-/m1/s1
InChIKey:
Synonyms
- rough Re LPS
Databases
MetaCyc:
CPD-12903
Seed:
cpd23628
MetaNetX:
MNXM18817