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

Properties Image Occurences in reactions MNX_ID MNXM88338 #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 13 formula C77H121N15O40 charge 0 mass 1895.78952 reference metacycM:CPD0-2278 InChIKey NQXCJQVWBSGGNW-UHFFFAOYSA-N InChI InChI=1S/C77H121N15O40/c1-27(62(108)83-31(5)72(118)119)81-69(115)40-16-13-17-43(74(122)123)92-65(111)30(4)82-68(114)39(15-12-14-38(78)73(120)121)90-70(116)41(18-20-49(101)102)88-64(110)29(3)80-67(113)33(7)126-61-53(87-37(11)100)77(129-48(25-96)60(61)132-75-51(85-35(9)98)55(106)54(105)45(22-93)127-75)130-58-47(24-95)128-76(52(56(58)107)86-36(10)99)131-59-46(23-94)124-26-44(84-34(8)97)57(59)125-32(6)66(112)79-28(2)63(109)89-42(71(117)91-40)19-21-50(103)104/h26-33,38-43,45-48,51-61,75-77,93-96,105-107H,12-25,78H2,1-11H3,(H,79,112)(H,80,113)(H,81,115)(H,82,114)(H,83,108)(H,84,97)(H,85,98)(H,86,99)(H,87,100)(H,88,110)(H,89,109)(H,90,116)(H,91,117)(H,92,111)(H,101,102)(H,103,104)(H,118,119)(H,120,121)(H,122,123) 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)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