4'-α-L-Ara4N-α-Kdo-(2->4)-α-KDO-(2->6)-lipid IVA

4'-α-L-Ara4<i>N</i>-α-Kdo-(2->4)-α-KDO-(2->6)-lipid IV<SUB>A</SUB>




Chemical Formula:
C89H159N3O40P2
Molecular Weight:
1973.179 Daltons
Monoisotopic Mass:
1977.0366351840003 Daltons
SMILES:
CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)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(CC(O)CCCCCCCCCCC)=O)OC(=O)CC(O)CCCCCCCCCCC)OP([O-])(=O)OC5(OCC([N+])C(O)C(O)5)))
InChI:
1S/C89H163N3O40P2/c1-5-9-13-17-21-25-29-33-37-41-56(95)45-67(102)91-71-81(125-69(104)47-58(97)43-39-35-31-27-23-19-15-11-7-3)76(109)65(123-84(71)131-133(115,116)117)54-121-83-72(92-68(103)46-57(96)42-38-34-30-26-22-18-14-10-6-2)82(126-70(105)48-59(98)44-40-36-32-28-24-20-16-12-8-4)80(130-134(118,119)132-85-77(110)73(106)60(90)53-120-85)66(124-83)55-122-88(86(111)112)50-64(75(108)79(128-88)63(101)52-94)127-89(87(113)114)49-61(99)74(107)78(129-89)62(100)51-93/h56-66,71-85,93-101,106-110H,5-55,90H2,1-4H3,(H,91,102)(H,92,103)(H,111,112)(H,113,114)(H,118,119)(H2,115,116,117)/p-4/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-,88-,89-/m1/s1
InChIKey:
QIVGFRSPDCVBFZ-FMIAHSSQSA-J

Databases
MetaCyc:  CPD-13352
PubChem (CID):  102515499 51351729
ChEBI:  61757
MetaNetX:  MNXM8338