RI00012076 | Thiamine,3TMS,isomer#1 | JsmolCC1=NC=C(C[N+]2=CSC(CCO[Si](C)(C)C)=C2C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1 | TMS | 481.2303 | Semi standard non polar | 2514.4763 |
RI00012077 | Thiamine,2TBDMS,isomer#1 | JsmolCC1=NC=C(C[N+]2=CSC(CCO[Si](C)(C)C(C)(C)C)=C2C)C(N[Si](C)(C)C(C)(C)C)=N1 | TBDMS | 493.2847 | Semi standard non polar | 2905.4177 |
RI00012078 | Thiamine,2TBDMS,isomer#2 | JsmolCC1=NC=C(C[N+]2=CSC(CCO)=C2C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | TBDMS | 493.2847 | Semi standard non polar | 2927.5508 |
RI00012079 | Thiamine,3TBDMS,isomer#1 | JsmolCC1=NC=C(C[N+]2=CSC(CCO[Si](C)(C)C(C)(C)C)=C2C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | TBDMS | 607.3712 | Semi standard non polar | 3094.0862 |
RI00012080 | Thiamine,2TMS,isomer#1 | JsmolCC1=NC=C(C[N+]2=CSC(CCO[Si](C)(C)C)=C2C)C(N[Si](C)(C)C)=N1 | TMS | 409.1908 | Standard polar | 3264.5073 |
RI00012081 | Thiamine,2TMS,isomer#2 | JsmolCC1=NC=C(C[N+]2=CSC(CCO)=C2C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1 | TMS | 409.1908 | Standard polar | 3162.5044 |
RI00012082 | Thiamine,3TMS,isomer#1 | JsmolCC1=NC=C(C[N+]2=CSC(CCO[Si](C)(C)C)=C2C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1 | TMS | 481.2303 | Standard polar | 2946.7288 |
RI00012083 | Thiamine,2TBDMS,isomer#1 | JsmolCC1=NC=C(C[N+]2=CSC(CCO[Si](C)(C)C(C)(C)C)=C2C)C(N[Si](C)(C)C(C)(C)C)=N1 | TBDMS | 493.2847 | Standard polar | 3364.9763 |
RI00012084 | Thiamine,2TBDMS,isomer#2 | JsmolCC1=NC=C(C[N+]2=CSC(CCO)=C2C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | TBDMS | 493.2847 | Standard polar | 3242.044 |
RI00012085 | Thiamine,3TBDMS,isomer#1 | JsmolCC1=NC=C(C[N+]2=CSC(CCO[Si](C)(C)C(C)(C)C)=C2C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | TBDMS | 607.3712 | Standard polar | 3187.386 |
RI00012086 | Propionic acid,1TMS,isomer#1 | JsmolCCC(=O)O[Si](C)(C)C | TMS | 146.0763 | Semi standard non polar | 781.7239 |
RI00012087 | Propionic acid,1TBDMS,isomer#1 | JsmolCCC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 188.1233 | Semi standard non polar | 998.7548 |
RI00012088 | Propionic acid | JsmolCCC(O)=O | Underivatized | 74.0368 | Standard polar | 1466.3392 |
RI00012089 | Propionic acid | JsmolCCC(O)=O | Underivatized | 74.0368 | Standard non polar | 667.2496 |
RI00012090 | Propionic acid | JsmolCCC(O)=O | Underivatized | 74.0368 | Semi standard non polar | 709.5405 |
RI00012091 | Sepiapterin,1TMS,isomer#1 | JsmolC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TMS | 309.1257 | Semi standard non polar | 2418.8164 |
RI00012092 | Sepiapterin,1TMS,isomer#2 | JsmolCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TMS | 309.1257 | Semi standard non polar | 2469.765 |
RI00012093 | Sepiapterin,1TMS,isomer#3 | JsmolC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N[Si](C)(C)C)=NC2=O | TMS | 309.1257 | Semi standard non polar | 2439.3237 |
RI00012094 | Sepiapterin,1TMS,isomer#4 | JsmolC[C@H](O)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1 | TMS | 309.1257 | Semi standard non polar | 2287.7498 |
RI00012095 | Sepiapterin,1TMS,isomer#5 | JsmolC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O | TMS | 309.1257 | Semi standard non polar | 2423.3142 |
RI00012096 | Sepiapterin,1TBDMS,isomer#1 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TBDMS | 351.1727 | Semi standard non polar | 2635.5972 |
RI00012097 | Sepiapterin,1TBDMS,isomer#2 | JsmolCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TBDMS | 351.1727 | Semi standard non polar | 2692.674 |
RI00012098 | Sepiapterin,1TBDMS,isomer#3 | JsmolC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N[Si](C)(C)C(C)(C)C)=NC2=O | TBDMS | 351.1727 | Semi standard non polar | 2643.8757 |
RI00012099 | Sepiapterin,1TBDMS,isomer#4 | JsmolC[C@H](O)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1 | TBDMS | 351.1727 | Semi standard non polar | 2523.7634 |
RI00012100 | Sepiapterin,1TBDMS,isomer#5 | JsmolC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O | TBDMS | 351.1727 | Semi standard non polar | 2623.1343 |