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

Properties Image Occurences in reactions MNX_ID MNXM163975 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C100H175N6O38P5 charge -2 mass 2223.06449 reference metacycM:CPD-19328 InChIKey QZQSZMDNWIMIJL-PSMXOYOXSA-L InChI InChI=1S/C100H177N6O38P5/c1-64(2)33-23-34-65(3)35-24-36-66(4)37-25-38-67(5)39-26-40-68(6)41-27-42-69(7)43-28-44-70(8)45-29-46-71(9)47-30-48-72(10)49-31-50-73(11)51-32-52-74(12)53-56-130-148(125,126)144-149(127,128)143-99-86(103-77(15)108)95(84(101)75(13)137-99)141-100-94(118)93(117)90(114)82(140-100)62-136-147(123,124)133-60-80(111)88(112)79(110)59-129-97-87(104-78(16)109)96(91(115)83(138-97)63-135-146(121,122)132-58-55-106(20,21)22)142-98-85(102-76(14)107)92(116)89(113)81(139-98)61-134-145(119,120)131-57-54-105(17,18)19/h33,35,37,39,41,43,45,47,49,51,53,75,79-100,110-118H,23-32,34,36,38,40,42,44,46,48,50,52,54-63,101H2,1-22H3,(H6-2,102,103,104,107,108,109,119,120,121,122,123,124,125,126,127,128)/p-2/b65-35+,66-37+,67-39-,68-41-,69-43-,70-45-,71-47-,72-49-,73-51-,74-53-/t75-,79+,80-,81-,82-,83-,84+,85-,86-,87-,88+,89+,90-,91+,92-,93+,94-,95+,96-,97-,98-,99+,100+/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](COP(=O)([O-])OCC[N+](C)(C)C)[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