4-O-phospho-alpha-Kdo8N-(2->6)-lipid IVA

Properties Image Occurences in reactions MNX_ID MNXM148662 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C76H138N3O32P3 charge -6 mass 1697.85092 reference metacycM:CPD-18066 InChIKey ZSEMEZNMCGDQGV-ACUQGRCXSA-H InChI InChI=1S/C76H144N3O32P3/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(85)78-65-71(106-63(87)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(90)59(104-74(65)111-114(99,100)101)51-102-73-66(79-62(86)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(107-64(88)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(110-113(96,97)98)60(105-73)52-103-76(75(91)92)49-58(109-112(93,94)95)67(89)69(108-76)57(84)50-77/h53-60,65-74,80-84,89-90H,5-52,77H2,1-4H3,(H,78,85)(H,79,86)(H,91,92)(H2,93,94,95)(H2,96,97,98)(H2,99,100,101)/p-6/t53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1 SMILES CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H]([C@H](O)C[NH3+])O3)[C@@H](OP(=O)([O-])[O-])[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph