Thymidine 3',5'- bisphosphate

Properties Image MNX_ID MNXM819689 reference sabiorkM:30090 formula C10H16N2O11P2 global charge 0 mol weight 402.189 InChIKey CSNCBOPUCJOHLS-XLPZGREQSA-N InChI InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 SMILES CC1=CN([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)C(=O)N=C1O MNX internals InChI (mnx) InChI=1/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 SMILES (mnx) [CH3:1][C:5]1=[CH:3][N:12]([C@H:8]2[CH2:2][C@H:6]([O:23][P:25]([OH:18])([OH:19])=[O:20])[C@@H:7]([CH2:4][O:21][P:24]([OH:15])([OH:16])=[O:17])[O:22]2)[C:10](=[O:14])[N:11]=[C:9]1[OH:13]

Parent-child relations graph

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