(5R)-5,6-dihydro-5-(thymidin-7-yl)thymidine (in double-helical DNA)

Properties Image MNX_ID MNXM172694 reference chebi:85625 formula C19H22N4O14P2*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])OC1CC2OC1COP(=O)([O-])OC1CC(OC1[*])N1C[C@](C)(CC3=CN2C(=O)NC3=O)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C21H30N4O14P2/c1-10-12-4-16(36-10)25-9-21(2,18(27)23-20(25)29)6-11-7-24(19(28)22-17(11)26)15-5-13(39-40(30,31)34-3)14(37-15)8-35-41(32,33)38-12/h7,10,12-16H,4-6,8-9H2,1-3H3,(H,30,31)(H,32,33)(H,22,26,28)(H,23,27,29)/t10?,12?,13?,14?,15?,16?,21-/m0/s1/i1+1,3+1 SMILES (mnx) [13CH3:1][CH:10]1[CH:12]2[CH2:4][CH:16]([N:25]3[CH2:9][C@:21]([CH3:2])([CH2:6][C:11]4=[CH:7][N:24]([CH:15]5[CH2:5][CH:13]([O:39][P:40]([OH:30])(=[O:31])[O:34][13CH3:3])[CH:14]([CH2:8][O:35][P:41]([OH:32])(=[O:33])[O:38]2)[O:37]5)[C:19](=[O:28])[N:22]=[C:17]4[OH:26])[C:18]([OH:27])=[N:23][C:20]3=[O:29])[O:36]1

Parent-child relations graph

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