5-iodo-2'-dUMP

Properties Image MNX_ID MNXM38163 reference metacycM:CPD0-1508 formula C9H10IN2O8P global charge -2 mol weight 432.063 InChIKey WXFYBFRZROJDLL-RRKCRQDMSA-L InChI InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/p-2/t5-,6+,7+/m0/s1 SMILES O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C=C1I MNX internals InChI (mnx) InChI=1/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 SMILES (mnx) [CH2:1]1[C@H:5]([OH:13])[C@@H:6]([CH2:3][O:19][P:21]([OH:16])([OH:17])=[O:18])[O:20][C@H:7]1[N:12]1[CH:2]=[C:4]([I:10])[C:8]([OH:14])=[N:11][C:9]1=[O:15]

Parent-child relations graph

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