RI00060726 | Phosphoadenosine phosphosulfate,4TMS,isomer#18 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C | TMS | 795.1443 | Semi standard non polar | 3805.5059 |
RI00060727 | Phosphoadenosine phosphosulfate,5TMS,isomer#1 | 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[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 867.1839 | Semi standard non polar | 3750.884 |
RI00060728 | Phosphoadenosine phosphosulfate,5TMS,isomer#2 | 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[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | TMS | 867.1839 | Semi standard non polar | 3766.8965 |
RI00060729 | Phosphoadenosine phosphosulfate,5TMS,isomer#3 | 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[Si](C)(C)C)[C@H]1O[Si](C)(C)C | TMS | 867.1839 | Semi standard non polar | 3746.637 |
RI00060730 | Phosphoadenosine phosphosulfate,5TMS,isomer#4 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 867.1839 | Semi standard non polar | 3739.7803 |
RI00060731 | Phosphoadenosine phosphosulfate,5TMS,isomer#5 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 867.1839 | Semi standard non polar | 3714.4556 |
RI00060732 | Phosphoadenosine phosphosulfate,5TMS,isomer#6 | 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[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | TMS | 867.1839 | Semi standard non polar | 3772.1418 |
RI00060733 | Phosphoadenosine phosphosulfate,5TMS,isomer#7 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 867.1839 | Semi standard non polar | 3762.2375 |
RI00060734 | Phosphoadenosine phosphosulfate,5TMS,isomer#8 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 867.1839 | Semi standard non polar | 3746.388 |
RI00060735 | Phosphoadenosine phosphosulfate,5TMS,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[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O | TMS | 867.1839 | Semi standard non polar | 3807.5713 |
RI00060736 | Phosphoadenosine phosphosulfate,5TMS,isomer#10 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O | TMS | 867.1839 | Semi standard non polar | 3795.1125 |
RI00060737 | Phosphoadenosine phosphosulfate,5TMS,isomer#11 | JsmolC[Si](C)(C)OP(=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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C | TMS | 867.1839 | Semi standard non polar | 3797.4275 |
RI00060738 | Phosphoadenosine phosphosulfate,5TMS,isomer#12 | JsmolC[Si](C)(C)OP(=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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C | TMS | 867.1839 | Semi standard non polar | 3806.9097 |
RI00060739 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#1 | 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[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 735.1592 | Semi standard non polar | 4248.194 |
RI00060740 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#2 | 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)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 735.1592 | Semi standard non polar | 4272.4307 |
RI00060741 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#3 | 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)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 735.1592 | Semi standard non polar | 4198.0703 |
RI00060742 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#4 | 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)[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 735.1592 | Semi standard non polar | 4137.2627 |
RI00060743 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#5 | JsmolCC(C)(C)[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(C)(C)C | TBDMS | 735.1592 | Semi standard non polar | 4259.955 |
RI00060744 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(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 | TBDMS | 735.1592 | Semi standard non polar | 4352.3994 |
RI00060745 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#7 | 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 | TBDMS | 735.1592 | Semi standard non polar | 4228.2217 |
RI00060746 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#8 | 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)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O | TBDMS | 735.1592 | Semi standard non polar | 4310.195 |
RI00060747 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#9 | 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 | TBDMS | 735.1592 | Semi standard non polar | 4187.573 |
RI00060748 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#10 | JsmolCC(C)(C)[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(C)(C)C | TBDMS | 735.1592 | Semi standard non polar | 4354.7046 |
RI00060749 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#11 | 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 | TBDMS | 735.1592 | Semi standard non polar | 4263.081 |
RI00060750 | Phosphoadenosine phosphosulfate,2TBDMS,isomer#12 | JsmolCC(C)(C)[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(C)(C)C | TBDMS | 735.1592 | Semi standard non polar | 4214.1094 |