RI00060701 | 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 | Semi standard non polar | 3861.785 |
RI00060702 | 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 | Semi standard non polar | 3832.2683 |
RI00060703 | 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 | Semi standard non polar | 3795.551 |
RI00060704 | 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 | Semi standard non polar | 3861.5393 |
RI00060705 | 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 | Semi standard non polar | 3824.4834 |
RI00060706 | 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 | Semi standard non polar | 3787.121 |
RI00060707 | 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 | Semi standard non polar | 3861.581 |
RI00060708 | 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 | Semi standard non polar | 3839.8616 |
RI00060709 | 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 | Semi standard non polar | 3773.9446 |
RI00060710 | 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 | Semi standard non polar | 3747.9727 |
RI00060711 | 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 | Semi standard non polar | 3755.1855 |
RI00060712 | 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 | Semi standard non polar | 3700.0947 |
RI00060713 | 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 | Semi standard non polar | 3699.3828 |
RI00060714 | 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 | Semi standard non polar | 3759.419 |
RI00060715 | 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 | Semi standard non polar | 3782.501 |
RI00060716 | 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 | Semi standard non polar | 3746.5312 |
RI00060717 | 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 | Semi standard non polar | 3736.2913 |
RI00060718 | 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 | Semi standard non polar | 3698.9116 |
RI00060719 | 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 | Semi standard non polar | 3799.8638 |
RI00060720 | 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 | Semi standard non polar | 3790.9524 |
RI00060721 | 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 | Semi standard non polar | 3746.4277 |
RI00060722 | 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 | Semi standard non polar | 3824.0334 |
RI00060723 | 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 | Semi standard non polar | 3782.3657 |
RI00060724 | 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 | Semi standard non polar | 3816.3413 |
RI00060725 | 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 | Semi standard non polar | 3790.5686 |