two disacharide linked murein units, tripeptide crosslinked tripeptide (A2pm->A2pm) (middle of chain)

Properties Image Occurences in reactions MNX_ID MNXM88342 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2 formula C68H106N12O37 charge 0 mass 1682.67818 reference metacycM:CPD0-2277 InChIKey IYFHCENFVZTZLO-UHFFFAOYSA-N InChI InChI=1S/C68H106N12O37/c1-24-57(97)77-35(16-18-44(91)92)62(102)80-37(65(107)108)14-10-13-36(64(105)106)79-60(100)33(12-9-11-32(69)63(103)104)78-61(101)34(15-17-43(89)90)76-56(96)25(2)71-59(99)27(4)111-55-47(75-31(8)88)68(114-42(22-84)54(55)117-66-45(73-29(6)86)49(94)48(93)39(19-81)112-66)115-52-41(21-83)113-67(46(50(52)95)74-30(7)87)116-53-40(20-82)109-23-38(72-28(5)85)51(53)110-26(3)58(98)70-24/h23-27,32-37,39-42,45-55,66-68,81-84,93-95H,9-22,69H2,1-8H3,(H,70,98)(H,71,99)(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,76,96)(H,77,97)(H,78,101)(H,79,100)(H,80,102)(H,89,90)(H,91,92)(H,103,104)(H,105,106)(H,107,108) 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(=O)O)CCCC(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