α-Kdo-(2->8)-α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IVA

α-Kdo-(2->8)-α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IV<SUB>A</SUB>




Chemical Formula:
C92H159N2O44P2
Molecular Weight:
2059.203 Daltons
Monoisotopic Mass:
2065.0288697314 Daltons
SMILES:
CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC5(OC(COC4(C(=O)[O-])(O[CH](C(O)CO)C(O)C(OC3(O[CH](C(COC2(O[CH](C(CO)O)C(O)C(O)C2)C(=O)[O-])O)C(O)C(O)C3)C(=O)[O-])C4))C(C(C5NC(CC(O)CCCCCCCCCCC)=O)OC(=O)CC(O)CCCCCCCCCCC)OP([O-])([O-])=O))
InChI:
1S/C92H166N2O44P2/c1-5-9-13-17-21-25-29-33-37-41-57(97)45-69(106)93-73-83(131-71(108)47-59(99)43-39-35-31-27-23-19-15-11-7-3)78(113)67(129-86(73)138-140(123,124)125)55-126-85-74(94-70(107)46-58(98)42-38-34-30-26-22-18-14-10-6-2)84(132-72(109)48-60(100)44-40-36-32-28-24-20-16-12-8-4)82(137-139(120,121)122)68(130-85)56-128-91(88(116)117)51-66(77(112)80(135-91)64(104)53-96)133-92(89(118)119)50-62(102)76(111)81(136-92)65(105)54-127-90(87(114)115)49-61(101)75(110)79(134-90)63(103)52-95/h57-68,73-86,95-105,110-113H,5-56H2,1-4H3,(H,93,106)(H,94,107)(H,114,115)(H,116,117)(H,118,119)(H2,120,121,122)(H2,123,124,125)/p-7/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,90-,91-,92-/m1/s1
InChIKey:
CYXUODONHIAJMC-SGONGESZSA-G

Synonyms
  • Kdo3-lipid IVA

Databases
MetaCyc:  CPD-12281
ChEBI:  86234
KEGG:  G13060
PubChem (CID):  46173528
Seed:  cpd21115
MetaNetX:  MNXM4884