heptosyl-Kdo2-lipid IVA

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




Chemical Formula:
C91H160N2O43P2
Molecular Weight:
2032.2 Daltons
Monoisotopic Mass:
2037.0339551093 Daltons
SMILES:
CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)1)COC5(OC(COC4(C(=O)[O-])(O[CH](C(O)CO)C(OC2(O[CH](C(O)CO)C(O)C(O)C(O)2))C(OC3(O[CH](C(CO)O)C(O)C(O)C3)C(=O)[O-])C4))C(C(C5NC(=O)CC(O)CCCCCCCCCCC)OC(=O)CC(O)CCCCCCCCCCC)OP([O-])([O-])=O))
InChI:
1S/C91H166N2O43P2/c1-5-9-13-17-21-25-29-33-37-41-56(97)45-67(105)92-71-83(128-69(107)47-58(99)43-39-35-31-27-23-19-15-11-7-3)74(110)65(126-86(71)136-138(121,122)123)54-124-85-72(93-68(106)46-57(98)42-38-34-30-26-22-18-14-10-6-2)84(129-70(108)48-59(100)44-40-36-32-28-24-20-16-12-8-4)82(135-137(118,119)120)66(127-85)55-125-90(88(114)115)50-64(132-91(89(116)117)49-60(101)73(109)79(133-91)62(103)52-95)81(80(134-90)63(104)53-96)131-87-77(113)75(111)76(112)78(130-87)61(102)51-94/h56-66,71-87,94-104,109-113H,5-55H2,1-4H3,(H,92,105)(H,93,106)(H,114,115)(H,116,117)(H2,118,119,120)(H2,121,122,123)/p-6/t56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,71-,72-,73-,74-,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,90-,91-/m1/s1
InChIKey:
MLJZTFUCNAYCPC-UWNYOEEBSA-H

Synonyms
  • Rd2-LPS

Databases
MetaCyc:  HEPTOSYL-KDO2-LIPID-IVA
PubChem (CID):  46173409 134820367
Seed:  cpd27213
MetaNetX:  MNXM18349