RI00060626 | Phosphoadenosine phosphosulfate,4TMS,isomer#10 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 795.1443 | Standard non polar | 4134.9463 |
RI00060627 | Phosphoadenosine phosphosulfate,4TMS,isomer#11 | JsmolC[Si](C)(C)OP(=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)O[Si](C)(C)C | TMS | 795.1443 | Standard non polar | 4072.4932 |
RI00060628 | Phosphoadenosine phosphosulfate,4TMS,isomer#12 | 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 | TMS | 795.1443 | Standard non polar | 4107.711 |
RI00060629 | Phosphoadenosine phosphosulfate,4TMS,isomer#13 | 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[Si](C)(C)C | TMS | 795.1443 | Standard non polar | 4193.3013 |
RI00060630 | Phosphoadenosine phosphosulfate,4TMS,isomer#14 | 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 | TMS | 795.1443 | Standard non polar | 4106.7236 |
RI00060631 | Phosphoadenosine phosphosulfate,4TMS,isomer#15 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O | TMS | 795.1443 | Standard non polar | 4180.705 |
RI00060632 | Phosphoadenosine phosphosulfate,4TMS,isomer#16 | 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 | TMS | 795.1443 | Standard non polar | 4075.6614 |
RI00060633 | Phosphoadenosine phosphosulfate,4TMS,isomer#17 | 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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O | TMS | 795.1443 | Standard non polar | 4170.2866 |
RI00060634 | 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 | Standard non polar | 4165.124 |
RI00060635 | 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 | Standard non polar | 4067.7673 |
RI00060636 | 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 | Standard non polar | 4128.5757 |
RI00060637 | 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 | Standard non polar | 4130.9497 |
RI00060638 | 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 | Standard non polar | 4203.426 |
RI00060639 | 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 | Standard non polar | 4219.4995 |
RI00060640 | 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 | Standard non polar | 4071.8547 |
RI00060641 | 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 | Standard non polar | 4142.955 |
RI00060642 | 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 | Standard non polar | 4157.296 |
RI00060643 | 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 | Standard non polar | 4157.072 |
RI00060644 | 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 | Standard non polar | 4235.0054 |
RI00060645 | 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 | Standard non polar | 4230.073 |
RI00060646 | 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 | Standard non polar | 4188.207 |
RI00060647 | 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 | Standard non polar | 4460.87 |
RI00060648 | 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 | Standard non polar | 4408.17 |
RI00060649 | 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 | Standard non polar | 4404.416 |
RI00060650 | 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 | Standard non polar | 4446.1963 |