echinocandin D

Properties Image Occurences in reactions MNX_ID MNXM148233 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C52H81N7O13 charge 0 mass 1011.58924 reference metacycM:CPD-17739 InChIKey AWKGNDBMYLFLDS-ORVOSXBPSA-N InChI InChI=1S/C52H81N7O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-41(65)54-38-21-20-27-53-50(70)45-46(66)32(2)30-59(45)52(72)43(34(4)61)56-49(69)44(40(64)28-35-23-25-36(62)26-24-35)57-48(68)39-29-37(63)31-58(39)51(71)42(33(3)60)55-47(38)67/h9-10,12-13,23-26,32-34,37-40,42-46,60-64,66H,5-8,11,14-22,27-31H2,1-4H3,(H,53,70)(H,54,65)(H,55,67)(H,56,69)(H,57,68)/b10-9-,13-12-/t32-,33+,34+,37+,38-,39-,40+,42-,43-,44-,45-,46-/m0/s1 SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1CCCNC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)Cc2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O

Parent-child relations graph

Deprecated MNXref IDs graph