α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IVA

α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IV<SUB>A</SUB>




Chemical Formula:
C84H148N2O37P2
Molecular Weight:
1840.032 Daltons
Monoisotopic Mass:
1844.9705669915002 Daltons
SMILES:
CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)1)COC4(OC(COC3(C(=O)[O-])(O[CH](C(O)CO)C(O)C(OC2(O[CH](C(CO)O)C(O)C(O)C2)C(=O)[O-])C3))C(C(C4NC(=O)CC(O)CCCCCCCCCCC)OC(=O)CC(O)CCCCCCCCCCC)OP([O-])([O-])=O))
InChI:
1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/p-6/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1
InChIKey:
XAOLJGCZESYRFT-VHSKNIDJSA-H

Synonyms
  • (Kdo)2-lipid IVA
  • Re-LPS

Databases
MetaCyc:  KDO2-LIPID-IVA
BiGG:  kdo2lipid4
PubChem (CID):  91820576 25246224
ChEBI:  60365
KEGG:  C06025
Seed:  cpd03586
MetaNetX:  MNXM824