alpha-D-galactosyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-diphospho-di-trans,octa-cis-undecaprenol

Properties Image Occurences in reactions MNX_ID MNXM97555 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C71H116N2O16P2 charge -2 mass 1314.78111 reference metacycM:CPD-14295 InChIKey ZFCXXZJITFLNKV-BRIMUYPFSA-L InChI InChI=1S/C71H118N2O16P2/c1-49(2)26-16-27-50(3)28-17-29-51(4)30-18-31-52(5)32-19-33-53(6)34-20-35-54(7)36-21-37-55(8)38-22-39-56(9)40-23-41-57(10)42-24-43-58(11)44-25-45-59(12)46-47-84-90(80,81)89-91(82,83)88-70-65(73-62(15)76)69(64(60(13)85-70)72-61(14)75)87-71-68(79)67(78)66(77)63(48-74)86-71/h26,28,30,32,34,36,38,40,42,44,46,60,63-71,74,77-79H,16-25,27,29,31,33,35,37,39,41,43,45,47-48H2,1-15H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)/p-2/b50-28+,51-30+,52-32+,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-,59-46-/t60-,63-,64-,65-,66+,67+,68-,69+,70-,71-/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](NC(C)=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)O[C@@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph