N-Acetyl-O-demethylpuromycin

Properties Image MNX_ID MNXM63535 reference keggC:C07031 formula C23H29N7O6 global charge 0 mol weight 499.528 InChIKey ZMYRMMCUDKHWQQ-PXBBLBRZSA-N InChI InChI=1S/C23H29N7O6/c1-12(32)27-15(8-13-4-6-14(33)7-5-13)22(35)28-17-16(9-31)36-23(19(17)34)30-11-26-18-20(29(2)3)24-10-25-21(18)30/h4-7,10-11,15-17,19,23,31,33-34H,8-9H2,1-3H3,(H,27,32)(H,28,35)/t15-,16+,17+,19+,23+/m0/s1 SMILES CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N(C)C)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C23H29N7O6/c1-12(32)27-15(8-13-4-6-14(33)7-5-13)22(35)28-17-16(9-31)36-23(19(17)34)30-11-26-18-20(29(2)3)24-10-25-21(18)30/h4-7,10-11,15-17,19,23,31,33-34H,8-9H2,1-3H3,(H,27,32)(H,28,35)/t15-,16+,17+,19+,23+/m0/s1 SMILES (mnx) [CH3:1][C:12](=[N:27][C@@H:15]([CH2:8][C:13]1=[CH:5][CH:7]=[C:14]([OH:33])[CH:6]=[CH:4]1)[C:22](=[N:28][C@@H:17]1[C@@H:16]([CH2:9][OH:31])[O:36][C@@H:23]([N:30]2[CH:11]=[N:26][C:18]3=[C:20]([N:29]([CH3:2])[CH3:3])[N:24]=[CH:10][N:25]=[C:21]32)[C@@H:19]1[OH:34])[OH:35])[OH:32]

Parent-child relations graph

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