mildiomycin

Properties Image MNX_ID MNXM157981 reference metacycM:CPD-17178 formula C19H31N8O9 global charge 1 mol weight 515.504 InChIKey QKJJCZYFXJCKRX-HZHKWBLPSA-O InChI InChI=1S/C19H30N8O9/c20-10(7-29)15(31)25-11-1-2-12(27-5-8(6-28)14(21)26-18(27)34)36-13(11)19(35,16(32)33)3-9(30)4-24-17(22)23/h1-2,5,9-13,28-30,35H,3-4,6-7,20H2,(H,25,31)(H,32,33)(H2,21,26,34)(H4,22,23,24)/p+1/t9?,10-,11-,12+,13-,19?/m0/s1 SMILES NC(=[NH2+])NCC(O)CC(O)(C(=O)[O-])[C@H]1O[C@@H](N2C=C(CO)C(N)=NC2=O)C=C[C@@H]1NC(=O)[C@@H]([NH3+])CO MNX internals InChI (mnx) InChI=1/C19H30N8O9/c20-10(7-29)15(31)25-11-1-2-12(27-5-8(6-28)14(21)26-18(27)34)36-13(11)19(35,16(32)33)3-9(30)4-24-17(22)23/h1-2,5,9-13,28-30,35H,3-4,6-7,20H2,(H,25,31)(H,32,33)(H2,21,26,34)(H4,22,23,24)/t9?,10-,11-,12+,13-,19?/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C@H:12]([N:27]2[CH:5]=[C:8]([CH2:6][OH:28])[C:14](=[NH:21])[N:26]=[C:18]2[OH:34])[O:36][C@H:13]([C:19]([CH2:3][CH:9]([CH2:4][NH:24][C:17](=[NH:22])[NH2:23])[OH:30])([C:16](=[O:32])[OH:33])[OH:35])[C@H:11]1[N:25]=[C:15]([C@H:10]([CH2:7][OH:29])[NH2:20])[OH:31]

Parent-child relations graph

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