Two linked disacharide pentapeptide and tripeptide murein units (uncrosslinked, middle of chain)

Properties Image Occurences in reactions MNX_ID MNXM738663 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 6 formula C74H114N14O40 charge -4 mass 1838.73387 reference biggM:murein5p3p InChIKey SBOXLYQXPDGZLN-UHFFFAOYSA-J InChI InChI=1S/C74H118N14O40/c1-26(60(104)80-29(4)68(112)113)79-65(109)38(15-11-13-36(75)69(114)115)87-66(110)39(17-19-47(97)98)85-61(105)27(2)77-63(107)30(5)121-55-42(81-32(7)93)25-120-44(22-90)57(55)127-73-50(83-34(9)95)54(103)56(45(23-91)124-73)126-74-51(84-35(10)96)59(58(46(24-92)125-74)128-72-49(82-33(8)94)53(102)52(101)43(21-89)123-72)122-31(6)64(108)78-28(3)62(106)86-40(18-20-48(99)100)67(111)88-41(71(118)119)16-12-14-37(76)70(116)117/h25-31,36-41,43-46,49-59,72-74,89-92,101-103H,11-24,75-76H2,1-10H3,(H,77,107)(H,78,108)(H,79,109)(H,80,104)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,85,105)(H,86,106)(H,87,110)(H,88,111)(H,97,98)(H,99,100)(H,112,113)(H,114,115)(H,116,117)(H,118,119)/p-4 SMILES CC(=O)NC1=COC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4NC(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)[O-])C3NC(C)=O)C(O)C2NC(C)=O)C1OC(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)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph