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

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




Chemical Formula:
C100H170N2O51P2
Molecular Weight:
2278.373 Daltons
Monoisotopic Mass:
2285.0871724713 Daltons
SMILES:
CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC6(OC(COC5(C(=O)[O-])(O[CH](C(O)CO)C(O)C(OC4(O[CH](C(COC2(O[CH](C(CO)O)C(O)C(O)C2)C(=O)[O-])O)C(O)C(OC3(O[CH](C(CO)O)C(O)C(O)C3)C(=O)[O-])C4)C(=O)[O-])C5))C(C(C6NC(CC(O)CCCCCCCCCCC)=O)OC(=O)CC(O)CCCCCCCCCCC)OP([O-])([O-])=O))
InChI:
1S/C100H178N2O51P2/c1-5-9-13-17-21-25-29-33-37-41-59(106)45-73(116)101-77-89(144-75(118)47-61(108)43-39-35-31-27-23-19-15-11-7-3)83(124)71(142-92(77)153-155(136,137)138)57-139-91-78(102-74(117)46-60(107)42-38-34-30-26-22-18-14-10-6-2)90(145-76(119)48-62(109)44-40-36-32-28-24-20-16-12-8-4)88(152-154(133,134)135)72(143-91)58-141-98(94(127)128)51-69(81(122)86(149-98)67(114)55-105)147-100(96(131)132)52-70(146-99(95(129)130)50-64(111)80(121)85(150-99)66(113)54-104)82(123)87(151-100)68(115)56-140-97(93(125)126)49-63(110)79(120)84(148-97)65(112)53-103/h59-72,77-92,103-115,120-124H,5-58H2,1-4H3,(H,101,116)(H,102,117)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/p-8/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,97-,98-,99-,100-/m1/s1
InChIKey:
YUDIFBNYJUUXNK-CHQVSXKGSA-F

Synonyms
  • Kdo4-lipid IVA

Databases
MetaCyc:  CPD-12285
ChEBI:  86236
PubChem (CID):  46173186
Seed:  cpd21116
MetaNetX:  MNXM7891
KEGG:  C19876