two disacharide linked murein units, tetrapeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain)

Properties Image Occurences in reactions MNX_ID MNXM737824 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 9 formula C74H111N14O39 charge -5 mass 1819.71603 reference metacycM:CPD0-2270 InChIKey KGQATEQHQGANJW-UHFFFAOYSA-I InChI InChI=1S/C74H116N14O39/c1-26-60(104)85-40(18-20-48(99)100)68(112)87-38(66(110)79-29(4)69(113)114)15-12-16-41(71(117)118)88-62(106)28(3)78-65(109)37(14-11-13-36(75)70(115)116)86-67(111)39(17-19-47(97)98)84-61(105)27(2)77-64(108)31(6)121-59-51(83-35(10)96)74(124-46(24-92)58(59)127-72-49(81-33(8)94)53(102)52(101)43(21-89)122-72)125-56-45(23-91)123-73(50(54(56)103)82-34(9)95)126-57-44(22-90)119-25-42(80-32(7)93)55(57)120-30(5)63(107)76-26/h25-31,36-41,43-46,49-59,72-74,89-92,101-103H,11-24,75H2,1-10H3,(H,76,107)(H,77,108)(H,78,109)(H,79,110)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,105)(H,85,104)(H,86,111)(H,87,112)(H,88,106)(H,97,98)(H,99,100)(H,113,114)(H,115,116)(H,117,118)/p-5 SMILES CC(=O)NC1=COC(CO)C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC(N)C(=O)[O-])C(=O)NC(C)C(=O)NC(C(=O)[O-])CCCC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC12)C4NC(C)=O)C(O)C3NC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph