2',3'-Dideoxy-3'-thiacytidine-triphosphate

Properties Image MNX_ID MNXM157087 reference sabiorkM:21122 formula C8H14N3O12P3S global charge 0 mol weight 469.198 InChIKey YLEQMGZZMCJKCN-RQJHMYQMSA-N InChI InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m1/s1 SMILES N=C1C=CN([C@H]2CS[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1 MNX internals InChI (mnx) InChI=1/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][N:11]([C@H:6]2[CH2:4][S:27][C@@H:7]([CH2:3][O:20][P:25]([OH:16])(=[O:17])[O:23][P:26]([OH:18])(=[O:19])[O:22][P:24]([OH:13])([OH:14])=[O:15])[O:21]2)[C:8]([OH:12])=[N:10][C:5]1=[NH:9]

Parent-child relations graph

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