RI00060676 | 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 | Standard non polar | 4769.998 |
RI00060677 | Phosphoadenosine phosphosulfate | JsmolNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 | Underivatized | 506.9862 | Standard non polar | 2745.5747 |
RI00060678 | Phosphoadenosine phosphosulfate | JsmolNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 | Underivatized | 506.9862 | Semi standard non polar | 4265.583 |
RI00060679 | 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 | Semi standard non polar | 3835.0483 |
RI00060680 | 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 | Semi standard non polar | 3867.6885 |
RI00060681 | 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 | Semi standard non polar | 3802.6887 |
RI00060682 | 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 | Semi standard non polar | 3797.418 |
RI00060683 | 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 | Semi standard non polar | 3881.1882 |
RI00060684 | 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 | Semi standard non polar | 3958.271 |
RI00060685 | 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 | Semi standard non polar | 3880.3066 |
RI00060686 | Phosphoadenosine phosphosulfate,2TMS,isomer#8 | JsmolC[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O | TMS | 651.0653 | Semi standard non polar | 3942.6753 |
RI00060687 | Phosphoadenosine phosphosulfate,2TMS,isomer#9 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O | TMS | 651.0653 | Semi standard non polar | 3856.3442 |
RI00060688 | Phosphoadenosine phosphosulfate,2TMS,isomer#10 | JsmolC[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)O[Si](C)(C)C | TMS | 651.0653 | Semi standard non polar | 3969.218 |
RI00060689 | Phosphoadenosine phosphosulfate,2TMS,isomer#11 | 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[Si](C)(C)C)[C@H]1O | TMS | 651.0653 | Semi standard non polar | 3933.787 |
RI00060690 | Phosphoadenosine phosphosulfate,2TMS,isomer#12 | JsmolC[Si](C)(C)N(C1=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 | Semi standard non polar | 3886.9275 |
RI00060691 | Phosphoadenosine phosphosulfate,3TMS,isomer#1 | 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[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 723.1048 | Semi standard non polar | 3791.2856 |
RI00060692 | Phosphoadenosine phosphosulfate,3TMS,isomer#2 | 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[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 723.1048 | Semi standard non polar | 3714.0571 |
RI00060693 | Phosphoadenosine phosphosulfate,3TMS,isomer#3 | 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[Si](C)(C)C | TMS | 723.1048 | Semi standard non polar | 3734.564 |
RI00060694 | Phosphoadenosine phosphosulfate,3TMS,isomer#4 | JsmolC[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)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 | 723.1048 | Semi standard non polar | 3810.5073 |
RI00060695 | Phosphoadenosine phosphosulfate,3TMS,isomer#5 | JsmolC[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 723.1048 | Semi standard non polar | 3783.846 |
RI00060696 | Phosphoadenosine phosphosulfate,3TMS,isomer#6 | 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[Si](C)(C)C)[C@H]1O[Si](C)(C)C | TMS | 723.1048 | Semi standard non polar | 3778.3115 |
RI00060697 | Phosphoadenosine phosphosulfate,3TMS,isomer#7 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C | TMS | 723.1048 | Semi standard non polar | 3716.0388 |
RI00060698 | Phosphoadenosine phosphosulfate,3TMS,isomer#8 | JsmolC[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)[Si](C)(C)C)N=CN=C21 | TMS | 723.1048 | Semi standard non polar | 3721.7869 |
RI00060699 | Phosphoadenosine phosphosulfate,3TMS,isomer#9 | JsmolC[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O | TMS | 723.1048 | Semi standard non polar | 3820.5493 |
RI00060700 | Phosphoadenosine phosphosulfate,3TMS,isomer#10 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O | TMS | 723.1048 | Semi standard non polar | 3772.214 |