Glc-GalNAc-P-Gro-P-ManNAc-GlcNAc-PP-undecaprenol

Properties Image Occurences in reactions MNX_ID MNXM164799 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C88H145N3O35P4 charge -4 mass 1927.8631 reference metacycM:CPD-19341 InChIKey VAOCQQMTZXPKHS-VVYKKIMRSA-J InChI InChI=1S/C88H149N3O35P4/c1-54(2)26-16-27-55(3)28-17-29-56(4)30-18-31-57(5)32-19-33-58(6)34-20-35-59(7)36-21-37-60(8)38-22-39-61(9)40-23-41-62(10)42-24-43-63(11)44-25-45-64(12)46-47-114-129(110,111)126-130(112,113)125-86-74(90-66(14)97)78(102)82(71(50-94)120-86)121-85-73(89-65(13)96)79(103)83(72(51-95)119-85)123-127(106,107)115-52-68(99)53-116-128(108,109)124-87-75(91-67(15)98)84(77(101)70(49-93)117-87)122-88-81(105)80(104)76(100)69(48-92)118-88/h26,28,30,32,34,36,38,40,42,44,46,68-88,92-95,99-105H,16-25,27,29,31,33,35,37,39,41,43,45,47-53H2,1-15H3,(H,89,96)(H,90,97)(H,91,98)(H,106,107)(H,108,109)(H,110,111)(H,112,113)/p-4/b55-28+,56-30+,57-32-,58-34-,59-36-,60-38-,61-40-,62-42-,63-44-,64-46-/t68-,69+,70+,71+,72+,73-,74+,75+,76+,77-,78+,79+,80-,81+,82?,83+,84+,85-,86+,87-,88-/m0/s1 SMILES CC(=O)N[C@@H]1[C@H](OC2[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](OP(=O)([O-])OC[C@H](O)COP(=O)([O-])O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph