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

Properties Image Occurences in reactions MNX_ID MNXM87121 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 4 formula C114H178N22O59 charge 0 mass 2799.16045 reference metacycM:CPD0-2296 InChIKey UVVIMBIDZMDRCG-UHFFFAOYSA-N InChI InChI=1S/C114H178N22O59/c1-39(91(159)122-45(7)106(174)175)119-101(169)57-22-18-24-62(108(178)179)136-96(164)44(6)121-102(170)58-23-19-25-63(109(180)181)135-95(163)43(5)120-100(168)56(21-17-20-55(115)107(176)177)132-103(171)59(26-29-71(149)150)129-93(161)41(3)117-98(166)47(9)184-89-77(127-53(15)147)113(189-69(36-141)87(89)194-110-74(124-50(12)144)80(156)79(155)65(32-137)186-110)192-85-68(35-140)188-112(76(82(85)158)126-52(14)146)195-88-70(37-142)190-114(78(128-54(16)148)90(88)185-48(10)99(167)118-42(4)94(162)131-61(105(173)134-58)28-31-73(153)154)191-84-67(34-139)187-111(75(81(84)157)125-51(13)145)193-86-66(33-138)182-38-64(123-49(11)143)83(86)183-46(8)97(165)116-40(2)92(160)130-60(104(172)133-57)27-30-72(151)152/h38-48,55-63,65-70,74-90,110-114,137-142,155-158H,17-37,115H2,1-16H3,(H,116,165)(H,117,166)(H,118,167)(H,119,169)(H,120,168)(H,121,170)(H,122,159)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,127,147)(H,128,148)(H,129,161)(H,130,160)(H,131,162)(H,132,171)(H,133,172)(H,134,173)(H,135,163)(H,136,164)(H,149,150)(H,151,152)(H,153,154)(H,174,175)(H,176,177)(H,178,179)(H,180,181) SMILES CC(=O)NC1=COC(CO)C2OC3OC(CO)C(OC4OC(CO)C5OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8NC(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(NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(C)OC5C4NC(C)=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)C7NC(C)=O)C(O)C6NC(C)=O)C(O)C3NC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph