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

Properties Image Occurences in reactions MNX_ID MNXM738657 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 5 formula C77H119N15O41 charge -4 mass 1909.77098 reference biggM:murein5p4p InChIKey YJNGRCZHKAYCMA-UHFFFAOYSA-J InChI InChI=1S/C77H123N15O41/c1-27(62(108)83-30(4)71(117)118)82-67(113)40(16-12-14-38(78)73(121)122)91-69(115)42(18-20-49(101)102)89-63(109)28(2)80-65(111)32(6)126-57-44(85-34(8)97)26-125-46(23-94)59(57)132-76-52(87-36(10)99)56(107)58(47(24-95)129-76)131-77-53(88-37(11)100)61(60(48(25-96)130-77)133-75-51(86-35(9)98)55(106)54(105)45(22-93)128-75)127-33(7)66(112)81-29(3)64(110)90-43(19-21-50(103)104)70(116)92-41(17-13-15-39(79)74(123)124)68(114)84-31(5)72(119)120/h26-33,38-43,45-48,51-61,75-77,93-96,105-107H,12-25,78-79H2,1-11H3,(H,80,111)(H,81,112)(H,82,113)(H,83,108)(H,84,114)(H,85,97)(H,86,98)(H,87,99)(H,88,100)(H,89,109)(H,90,110)(H,91,115)(H,92,116)(H,101,102)(H,103,104)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/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)NC(C)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