RI00060751 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 849.2457 | Semi standard non polar | 4363.551 |
RI00060752 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 849.2457 | Semi standard non polar | 4296.421 |
RI00060753 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 849.2457 | Semi standard non polar | 4255.809 |
RI00060754 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 849.2457 | Semi standard non polar | 4377.51 |
RI00060755 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 849.2457 | Semi standard non polar | 4340.2236 |
RI00060756 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 849.2457 | Semi standard non polar | 4290.1 |
RI00060757 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 849.2457 | Semi standard non polar | 4235.8325 |
RI00060758 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#8 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21 | TBDMS | 849.2457 | Semi standard non polar | 4239.6826 |
RI00060759 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#9 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O | TBDMS | 849.2457 | Semi standard non polar | 4381.8555 |
RI00060760 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#10 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O | TBDMS | 849.2457 | Semi standard non polar | 4286.0093 |
RI00060761 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#11 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)O[Si](C)(C)C(C)(C)C | TBDMS | 849.2457 | Semi standard non polar | 4431.189 |
RI00060762 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#12 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O | TBDMS | 849.2457 | Semi standard non polar | 4359.7617 |
RI00060763 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#13 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O | TBDMS | 849.2457 | Semi standard non polar | 4306.105 |
RI00060764 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#14 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)O[Si](C)(C)C(C)(C)C | TBDMS | 849.2457 | Semi standard non polar | 4402.203 |
RI00060765 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#15 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O | TBDMS | 849.2457 | Semi standard non polar | 4341.2896 |
RI00060766 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#16 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O | TBDMS | 849.2457 | Semi standard non polar | 4279.683 |
RI00060767 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#17 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O | TBDMS | 849.2457 | Semi standard non polar | 4367.526 |
RI00060768 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#18 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O | TBDMS | 849.2457 | Semi standard non polar | 4335.9663 |
RI00060769 | Phosphoadenosine phosphosulfate,2TMS,isomer#1 | JsmolC[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 651.0653 | Standard polar | 7402.506 |
RI00060770 | Phosphoadenosine phosphosulfate,2TMS,isomer#2 | JsmolC[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 651.0653 | Standard polar | 7079.079 |
RI00060771 | Phosphoadenosine phosphosulfate,2TMS,isomer#3 | JsmolC[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 651.0653 | Standard polar | 7080.6665 |
RI00060772 | Phosphoadenosine phosphosulfate,2TMS,isomer#4 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C | TMS | 651.0653 | Standard polar | 7147.2964 |
RI00060773 | Phosphoadenosine phosphosulfate,2TMS,isomer#5 | JsmolC[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O[Si](C)(C)C | TMS | 651.0653 | Standard polar | 7066.54 |
RI00060774 | Phosphoadenosine phosphosulfate,2TMS,isomer#6 | JsmolC[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O | TMS | 651.0653 | Standard polar | 7087.24 |
RI00060775 | Phosphoadenosine phosphosulfate,2TMS,isomer#7 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O | TMS | 651.0653 | Standard polar | 7120.1826 |