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

Properties Image Occurences in reactions MNX_ID MNXM164786 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C82H138N3O27P3 charge -2 mass 1689.87415 reference metacycM:CPD-19324 InChIKey XEPFLXAWYGDFGN-HZCRIXGLSA-L InChI InChI=1S/C82H140N3O27P3/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-104-114(99,100)112-115(101,102)111-81-72(85-65(15)88)79(70(83)63(13)107-81)110-82-78(96)77(95)75(93)69(109-82)51-106-113(97,98)105-50-67(90)73(91)66(89)49-103-80-71(84-64(14)87)76(94)74(92)68(48-86)108-80/h26,28,30,32,34,36,38,40,42,44,46,63,66-82,86,89-96H,16-25,27,29,31,33,35,37,39,41,43,45,47-51,83H2,1-15H3,(H,84,87)(H,85,88)(H,97,98)(H,99,100)(H,101,102)/p-2/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,66+,67-,68-,69-,70+,71-,72-,73+,74+,75-,76-,77+,78-,79+,80-,81+,82+/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]2NC(C)=O)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph