deaminohydroxyblasticidin S

Properties Image MNX_ID MNXM4563 reference metacycM:DEAMINOHYDROXYBLASTICIDIN-S formula C17H26N7O6 global charge 1 mol weight 424.438 InChIKey REIIQZAQCCFGIJ-ZNIXKSQXSA-O InChI InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/p+1/t9-,10-,13+,14-/m0/s1 SMILES CN(CC[C@H]([NH3+])CC(=O)N[C@H]1C=C[C@H](N2C=CC(=O)NC2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+] MNX internals InChI (mnx) InChI=1/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/t9-,10-,13+,14-/m0/s1 SMILES (mnx) [CH3:1][N:23]([CH2:6][CH2:4][C@@H:9]([CH2:8][C:12](=[N:21][C@H:10]1[CH:2]=[CH:3][C@H:13]([N:24]2[CH:7]=[CH:5][C:11]([OH:25])=[N:22][C:17]2=[O:29])[O:30][C@@H:14]1[C:15](=[O:27])[OH:28])[OH:26])[NH2:18])[C:16](=[NH:19])[NH2:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0