Demethylblasticidin S

Properties Image MNX_ID MNXM148207 reference chebi:200683 formula C16H24N8O5 global charge 0 mol weight 408.419 InChIKey OJVBAQZCFZMOBW-NGERZBJRSA-N InChI InChI=1S/C16H24N8O5/c17-8(3-5-21-15(19)20)7-11(25)22-9-1-2-12(29-13(9)14(26)27)24-6-4-10(18)23-16(24)28/h1-2,4,6,8-9,12-13H,3,5,7,17H2,(H,22,25)(H,26,27)(H2,18,23,28)(H4,19,20,21)/t8-,9-,12+,13-/m0/s1 SMILES NC(N)=NCC[C@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O MNX internals InChI (mnx) InChI=1/C16H24N8O5/c17-8(3-5-21-15(19)20)7-11(25)22-9-1-2-12(29-13(9)14(26)27)24-6-4-10(18)23-16(24)28/h1-2,4,6,8-9,12-13H,3,5,7,17H2,(H,22,25)(H,26,27)(H2,18,23,28)(H4,19,20,21)/t8-,9-,12+,13-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C@H:12]([N:24]2[CH:6]=[CH:4][C:10](=[NH:18])[N:23]=[C:16]2[OH:28])[O:29][C@H:13]([C:14](=[O:26])[OH:27])[C@H:9]1[N:22]=[C:11]([CH2:7][C@H:8]([CH2:3][CH2:5][NH:21][C:15](=[NH:19])[NH2:20])[NH2:17])[OH:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0