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

Properties Image Occurences in reactions MNX_ID MNXM1107894 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 9 formula C111H167N21O58 charge -6 mass 2722.07967 reference biggM:murein4px4px4p InChIKey MOAQLSSYVFCVCB-UHFFFAOYSA-H InChI InChI=1S/C111H173N21O58/c1-38-89(155)127-59(27-30-71(149)150)102(168)130-56(99(165)118-43(6)103(169)170)22-18-24-61(106(175)176)132-93(159)42(5)117-98(164)55-21-17-23-60(105(173)174)131-92(158)41(4)116-97(163)54(20-16-19-53(112)104(171)172)128-100(166)57(25-28-69(145)146)125-90(156)39(2)114-95(161)45(8)179-87-75(123-51(14)143)110(184-67(35-137)85(87)189-107-72(120-48(11)140)78(152)77(151)63(31-133)181-107)187-83-66(34-136)183-109(74(80(83)154)122-50(13)142)190-86-68(36-138)185-111(76(124-52(15)144)88(86)180-46(9)96(162)115-40(3)91(157)126-58(101(167)129-55)26-29-70(147)148)186-82-65(33-135)182-108(73(79(82)153)121-49(12)141)188-84-64(32-134)177-37-62(119-47(10)139)81(84)178-44(7)94(160)113-38/h37-46,53-61,63-68,72-88,107-111,133-138,151-154H,16-36,112H2,1-15H3,(H,113,160)(H,114,161)(H,115,162)(H,116,163)(H,117,164)(H,118,165)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,156)(H,126,157)(H,127,155)(H,128,166)(H,129,167)(H,130,168)(H,131,158)(H,132,159)(H,145,146)(H,147,148)(H,149,150)(H,169,170)(H,171,172)(H,173,174)(H,175,176)/p-6 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([NH3+])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)[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