three disacharide linked murein units (tetrapeptide crosslinked tetrapeptide (A2pm->D-ala), one uncrosslinked tetrapaptide) (middle of chain)

Properties Image Occurences in reactions MNX_ID MNXM87122 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 3 formula C111H169N21O59 charge -6 mass 2740.09024 reference metacycM:CPD0-2266 InChIKey NPJMJVATSCHTAI-UHFFFAOYSA-H InChI InChI=1S/C111H175N21O59/c1-38-89(155)128-60(27-30-71(149)150)101(167)131-57(98(164)119-43(6)103(170)171)23-18-24-61(106(176)177)132-92(158)41(4)117-96(162)55(21-16-19-53(112)104(172)173)129-99(165)58(25-28-69(145)146)126-90(156)39(2)116-95(161)46(9)181-88-76(125-52(15)144)111(187-82-65(33-135)183-108(73(79(82)153)122-49(12)141)189-84-64(32-134)178-37-62(120-47(10)139)81(84)179-44(7)93(159)114-38)186-68(36-138)86(88)191-109-74(123-50(13)142)80(154)83(66(34-136)184-109)188-110-75(124-51(14)143)87(85(67(35-137)185-110)190-107-72(121-48(11)140)78(152)77(151)63(31-133)182-107)180-45(8)94(160)115-40(3)91(157)127-59(26-29-70(147)148)100(166)130-56(22-17-20-54(113)105(174)175)97(163)118-42(5)102(168)169/h37-46,53-61,63-68,72-88,107-111,133-138,151-154H,16-36,112-113H2,1-15H3,(H,114,159)(H,115,160)(H,116,161)(H,117,162)(H,118,163)(H,119,164)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,124,143)(H,125,144)(H,126,156)(H,127,157)(H,128,155)(H,129,165)(H,130,166)(H,131,167)(H,132,158)(H,145,146)(H,147,148)(H,149,150)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)/p-6 SMILES CC(=O)NC1=COC(CO)C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7NC(C)=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)NC(C)C(=O)[O-])C6NC(C)=O)C(O)C5NC(C)=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])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