α-Kdo8N-(2→6)-lipid IVA

α-Kdo8N-(2→6)-lipid IV<sub>A</sub>




Chemical Formula:
C76H139N3O29P2
Molecular Weight:
1620.884 Daltons
Monoisotopic Mass:
1624.9360736989001 Daltons
SMILES:
CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC3(OC(COC2(C(=O)[O-])(O[CH](C(O)C[N+])C(O)C(O)C2))C(C(C3NC(CC(O)CCCCCCCCCCC)=O)OC(=O)CC(O)CCCCCCCCCCC)OP([O-])([O-])=O))
InChI:
1S/C76H143N3O29P2/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(86)78-65-71(104-63(88)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(91)59(102-74(65)108-110(97,98)99)51-100-73-66(79-62(87)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(105-64(89)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(107-109(94,95)96)60(103-73)52-101-76(75(92)93)49-57(84)67(90)69(106-76)58(85)50-77/h53-60,65-74,80-85,90-91H,5-52,77H2,1-4H3,(H,78,86)(H,79,87)(H,92,93)(H2,94,95,96)(H2,97,98,99)/p-4/t53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1
InChIKey:
IQKHBEQGCLYPKV-ACUQGRCXSA-J

Databases
MetaCyc:  CPD-18065
PubChem (CID):  91820445 134820461
MetaNetX:  MNXM148044