(Chol-P-GalNAc)-GalNAc-(Rib-ol)-P-Glc-AATGal-PP-undecaprenol

Properties Image Occurences in reactions MNX_ID MNXM163976 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C95H163N5O35P4 charge -2 mass 2058.00901 reference metacycM:CPD-19327 InChIKey VXZVNUMMYQWZJX-UMIKLXFESA-L InChI InChI=1S/C95H165N5O35P4/c1-59(2)30-20-31-60(3)32-21-33-61(4)34-22-35-62(5)36-23-37-63(6)38-24-39-64(7)40-25-41-65(8)42-26-43-66(9)44-27-45-67(10)46-28-47-68(11)48-29-49-69(12)50-52-123-138(118,119)135-139(120,121)134-94-81(98-72(15)103)90(79(96)70(13)128-94)132-95-89(113)88(112)85(109)78(131-95)58-127-137(116,117)125-56-75(106)83(107)74(105)55-122-92-82(99-73(16)104)91(86(110)76(54-101)129-92)133-93-80(97-71(14)102)87(111)84(108)77(130-93)57-126-136(114,115)124-53-51-100(17,18)19/h30,32,34,36,38,40,42,44,46,48,50,70,74-95,101,105-113H,20-29,31,33,35,37,39,41,43,45,47,49,51-58,96H2,1-19H3,(H6-,97,98,99,102,103,104,114,115,116,117,118,119,120,121)/p-2/b60-32+,61-34+,62-36-,63-38-,64-40-,65-42-,66-44-,67-46-,68-48-,69-50-/t70-,74+,75-,76-,77-,78-,79+,80-,81-,82-,83+,84+,85-,86+,87-,88+,89-,90+,91-,92-,93-,94+,95+/m1/s1 SMILES CC(=O)N[C@H]1[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)O[C@H](C)[C@H]([NH3+])[C@@H]1O[C@@H]1O[C@H](COP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph