RI00060601 | 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 | Standard non polar | 4003.677 |
RI00060602 | 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 | Standard non polar | 3974.936 |
RI00060603 | 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 | Standard non polar | 3967.9473 |
RI00060604 | 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 | Standard non polar | 3982.1987 |
RI00060605 | 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 | Standard non polar | 3989.4097 |
RI00060606 | 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 | Standard non polar | 4082.5703 |
RI00060607 | 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 | Standard non polar | 4027.8567 |
RI00060608 | 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 | Standard non polar | 4044.7656 |
RI00060609 | Phosphoadenosine phosphosulfate,3TMS,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)N=CN=C32)[C@@H]1O)O[Si](C)(C)C | TMS | 723.1048 | Standard non polar | 4034.0137 |
RI00060610 | Phosphoadenosine phosphosulfate,3TMS,isomer#12 | 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[Si](C)(C)C)[C@H]1O | TMS | 723.1048 | Standard non polar | 4037.995 |
RI00060611 | Phosphoadenosine phosphosulfate,3TMS,isomer#13 | JsmolC[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O | TMS | 723.1048 | Standard non polar | 4113.137 |
RI00060612 | Phosphoadenosine phosphosulfate,3TMS,isomer#14 | 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)N=CN=C32)[C@@H]1O)O[Si](C)(C)C | TMS | 723.1048 | Standard non polar | 4031.4238 |
RI00060613 | Phosphoadenosine phosphosulfate,3TMS,isomer#15 | 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[Si](C)(C)C)[C@H]1O | TMS | 723.1048 | Standard non polar | 4038.392 |
RI00060614 | Phosphoadenosine phosphosulfate,3TMS,isomer#16 | JsmolC[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O | TMS | 723.1048 | Standard non polar | 4136.5625 |
RI00060615 | Phosphoadenosine phosphosulfate,3TMS,isomer#17 | 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[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O | TMS | 723.1048 | Standard non polar | 4032.122 |
RI00060616 | Phosphoadenosine phosphosulfate,3TMS,isomer#18 | JsmolC[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)[Si](C)(C)C)N=CN=C32)[C@@H]1O | TMS | 723.1048 | Standard non polar | 4119.925 |
RI00060617 | Phosphoadenosine phosphosulfate,4TMS,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)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 795.1443 | Standard non polar | 4047.8367 |
RI00060618 | Phosphoadenosine phosphosulfate,4TMS,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[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 795.1443 | Standard non polar | 4039.9753 |
RI00060619 | Phosphoadenosine phosphosulfate,4TMS,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[Si](C)(C)C)[C@H]1O[Si](C)(C)C | TMS | 795.1443 | Standard non polar | 4073.8547 |
RI00060620 | Phosphoadenosine phosphosulfate,4TMS,isomer#4 | 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[Si](C)(C)C | TMS | 795.1443 | Standard non polar | 4081.501 |
RI00060621 | Phosphoadenosine phosphosulfate,4TMS,isomer#5 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 795.1443 | Standard non polar | 4156.165 |
RI00060622 | Phosphoadenosine phosphosulfate,4TMS,isomer#6 | 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)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 795.1443 | Standard non polar | 3983.1694 |
RI00060623 | Phosphoadenosine phosphosulfate,4TMS,isomer#7 | 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[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | TMS | 795.1443 | Standard non polar | 4024.6143 |
RI00060624 | Phosphoadenosine phosphosulfate,4TMS,isomer#8 | 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[Si](C)(C)C)[C@H]1O[Si](C)(C)C | TMS | 795.1443 | Standard non polar | 4039.0706 |
RI00060625 | Phosphoadenosine phosphosulfate,4TMS,isomer#9 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 795.1443 | Standard non polar | 4118.507 |