(5S)-5,6-dihydro-5-(thymidin-7-yl)thymidine (in DNA)

Properties Image MNX_ID MNXM31297 reference metacycM:CPD-11642 formula C20H24N4O18P3*2 global charge -3 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])OC[C@H]1O[C@@H]2C[C@@H]1OP(=O)([O-])OC[C@H]1O[C@H](C[C@@H]1OP(=O)([O-])O[*])N1C=C(C[C@@]3(C)CN2C(=O)NC3=O)C(=O)NC1=O MNX internals InChI (mnx) InChI=1/C22H33N4O18P3/c1-22-6-11-7-25(20(29)23-18(11)27)16-4-12(43-46(33,34)38-3)15(41-16)9-40-47(35,36)44-13-5-17(26(10-22)21(30)24-19(22)28)42-14(13)8-39-45(31,32)37-2/h7,12-17H,4-6,8-10H2,1-3H3,(H,31,32)(H,33,34)(H,35,36)(H,23,27,29)(H,24,28,30)/t12-,13-,14+,15+,16+,17+,22-/m0/s1/i2+1,3+1 SMILES (mnx) [CH3:1][C@:22]12[CH2:6][C:11]3=[CH:7][N:25]([C@H:16]4[CH2:4][C@H:12]([O:43][P:46]([OH:33])(=[O:34])[O:38][13CH3:3])[C@@H:15]([CH2:9][O:40][P:47]([OH:35])(=[O:36])[O:44][C@H:13]5[CH2:5][C@H:17]([N:26]([CH2:10]1)[C:21](=[O:30])[N:24]=[C:19]2[OH:28])[O:42][C@@H:14]5[CH2:8][O:39][P:45]([OH:31])(=[O:32])[O:37][13CH3:2])[O:41]4)[C:20](=[O:29])[N:23]=[C:18]3[OH:27]

Parent-child relations graph

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