alpha-Kdo8N-(2->6)-lipid IVA

Properties Image Occurences in reactions MNX_ID MNXM148044 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C76H139N3O29P2 charge -4 mass 1619.89914 reference metacycM:CPD-18065 InChIKey IQKHBEQGCLYPKV-ACUQGRCXSA-J InChI 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 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](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