RI00062851 | 5'-Methylthioadenosine,4TBDMS,isomer#1 | JsmolCSC[C@H]1O[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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 753.4355 | Semi standard non polar | 3460.6934 |
RI00062852 | 5'-Methylthioadenosine,3TMS,isomer#1 | JsmolCSC[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | TMS | 513.2081 | Standard polar | 3998.1104 |
RI00062853 | 5'-Methylthioadenosine,3TMS,isomer#2 | JsmolCSC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O | TMS | 513.2081 | Standard polar | 3754.9668 |
RI00062854 | 5'-Methylthioadenosine,3TMS,isomer#3 | JsmolCSC[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]1O[Si](C)(C)C | TMS | 513.2081 | Standard polar | 3702.0854 |
RI00062855 | 5'-Methylthioadenosine,4TMS,isomer#1 | JsmolCSC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | TMS | 585.2477 | Standard polar | 3414.535 |
RI00062856 | 5'-Methylthioadenosine,3TBDMS,isomer#1 | JsmolCSC[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 639.349 | Standard polar | 4073.8845 |
RI00062857 | 5'-Methylthioadenosine,3TBDMS,isomer#2 | JsmolCSC[C@H]1O[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](O[Si](C)(C)C(C)(C)C)[C@@H]1O | TBDMS | 639.349 | Standard polar | 3846.1035 |
RI00062858 | 5'-Methylthioadenosine,3TBDMS,isomer#3 | JsmolCSC[C@H]1O[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](O)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 639.349 | Standard polar | 3805.539 |
RI00062859 | 5'-Methylthioadenosine,4TBDMS,isomer#1 | JsmolCSC[C@H]1O[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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 753.4355 | Standard polar | 3688.5935 |
RI00062860 | Malonyl-CoA | JsmolCC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O | Underivatized | 853.1156 | Standard polar | 5892.655 |
RI00062861 | Malonyl-CoA | JsmolCC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O | Underivatized | 853.1156 | Standard non polar | 4275.6616 |
RI00062862 | Malonyl-CoA | JsmolCC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O | Underivatized | 853.1156 | Semi standard non polar | 6641.7397 |
RI00062863 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#1 | JsmolCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 686.1868 | Semi standard non polar | 4764.2705 |
RI00062864 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#2 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 686.1868 | Semi standard non polar | 4760.3115 |
RI00062865 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#3 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 686.1868 | Semi standard non polar | 4771.629 |
RI00062866 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#4 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 686.1868 | Semi standard non polar | 4724.764 |
RI00062867 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#5 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO | TMS | 686.1868 | Semi standard non polar | 4740.9707 |
RI00062868 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#6 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C | TMS | 686.1868 | Semi standard non polar | 4753.2075 |
RI00062869 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#7 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C | TMS | 686.1868 | Semi standard non polar | 4756.0596 |
RI00062870 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#8 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 686.1868 | Semi standard non polar | 4781.9 |
RI00062871 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#9 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 686.1868 | Semi standard non polar | 4904.814 |
RI00062872 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,1TMS,isomer#10 | JsmolCC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C | TMS | 686.1868 | Semi standard non polar | 4790.3613 |
RI00062873 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,2TMS,isomer#1 | JsmolCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 758.2263 | Semi standard non polar | 4603.8105 |
RI00062874 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,2TMS,isomer#2 | JsmolCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 758.2263 | Semi standard non polar | 4618.864 |
RI00062875 | Cytidine 5'-monophosphate-N-acetylneuraminic acid,2TMS,isomer#3 | JsmolCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO | TMS | 758.2263 | Semi standard non polar | 4580.5566 |