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

Properties Image Occurences in reactions MNX_ID MNXM741016 #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 11 formula C71H109N13O39 charge -4 mass 1767.69675 reference biggM:murein4p3p InChIKey AKLORNSFZCNZDU-UHFFFAOYSA-J InChI InChI=1S/C71H113N13O39/c1-25(58(100)81-37(16-18-45(93)94)63(105)83-36(14-10-12-34(72)66(109)110)62(104)76-27(3)65(107)108)74-60(102)28(4)116-53-40(77-30(6)89)24-115-42(21-86)55(53)122-70-48(79-32(8)91)52(99)54(43(22-87)119-70)121-71-49(80-33(9)92)57(56(44(23-88)120-71)123-69-47(78-31(7)90)51(98)50(97)41(20-85)118-69)117-29(5)61(103)75-26(2)59(101)82-38(17-19-46(95)96)64(106)84-39(68(113)114)15-11-13-35(73)67(111)112/h24-29,34-39,41-44,47-57,69-71,85-88,97-99H,10-23,72-73H2,1-9H3,(H,74,102)(H,75,103)(H,76,104)(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,100)(H,82,101)(H,83,105)(H,84,106)(H,93,94)(H,95,96)(H,107,108)(H,109,110)(H,111,112)(H,113,114)/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)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph