a nascent peptidoglycan (meso-DAP containing) with GlcNAc terminus

Properties Image Occurences in reactions MNX_ID MNXM166801 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C92H147N7O27P2 charge -4 mass 1843.98421 reference metacycM:CPD-18808 InChIKey ZJUCBLJPWMJPPP-ZBZLBUFYSA-J InChI InChI=1S/C92H151N7O27P2/c1-57(2)29-18-30-58(3)31-19-32-59(4)33-20-34-60(5)35-21-36-61(6)37-22-38-62(7)39-23-40-63(8)41-24-42-64(9)43-25-44-65(10)45-26-46-66(11)47-27-48-67(12)53-54-120-127(116,117)126-128(118,119)125-92-80(97-72(17)103)84(83(77(56-101)123-92)124-91-79(96-71(16)102)82(106)81(105)76(55-100)122-91)121-70(15)86(108)94-68(13)85(107)99-75(90(114)115)51-52-78(104)98-74(50-28-49-73(93)89(112)113)87(109)95-69(14)88(110)111/h29,31,33,35,37,39,41,43,45,47,53,68-70,73-77,79-84,91-92,100-101,105-106H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-56,93H2,1-17H3,(H,94,108)(H,95,109)(H,96,102)(H,97,103)(H,98,104)(H,99,107)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)/p-4/b58-31+,59-33+,60-35-,61-37-,62-39-,63-41-,64-43-,65-45-,66-47-,67-53-/t68-,69+,70+,73+,74-,75+,76+,77+,79+,80+,81+,82+,83+,84+,91-,92?/m0/s1 SMILES CC(=O)N[C@H]1C(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](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph