presaframycin

Properties Image MNX_ID MNXM148469 reference metacycM:CPD-18030 formula C28H35N4O8* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@@H](C)C(=O)NC[C@H]1C2=C(C=C(C)C(OC)=C2O)C[C@H]2[C@@H]3N[C@@H](CC4=C3C(O)=C(OC)C(C)=C4O)[C@H](O)N12 MNX internals InChI (mnx) InChI=1/C29H38N4O8/c1-11-7-15-8-18-22-21-16(23(35)12(2)27(41-6)25(21)37)9-17(32-22)29(39)33(18)19(20(15)24(36)26(11)40-5)10-30-28(38)13(3)31-14(4)34/h7,13,17-19,22,29,32,35-37,39H,8-10H2,1-6H3,(H,30,38)(H,31,34)/t13-,17-,18-,19-,22-,29-/m0/s1/i4+1 SMILES (mnx) [CH3:1][C:11]1=[CH:7][C:15]2=[C:20]([C@H:19]([CH2:10][N:30]=[C:28]([C@H:13]([CH3:3])[N:31]=[C:14]([13CH3:4])[OH:34])[OH:38])[N:33]3[C@@H:18]([CH2:8]2)[C@H:22]2[C:21]4=[C:16]([CH2:9][C@@H:17]([C@@H:29]3[OH:39])[NH:32]2)[C:23]([OH:35])=[C:12]([CH3:2])[C:27]([O:41][CH3:6])=[C:25]4[OH:37])[C:24]([OH:36])=[C:26]1[O:40][CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0