RI00000901 | Tetrahydrobiopterin,5TBDMS,isomer#1 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 4160.8135 |
RI00000902 | Tetrahydrobiopterin,5TBDMS,isomer#2 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2 | TBDMS | 811.5499 | Standard polar | 4343.391 |
RI00000903 | Tetrahydrobiopterin,5TBDMS,isomer#3 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3561.3618 |
RI00000904 | Tetrahydrobiopterin,5TBDMS,isomer#4 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 4204.216 |
RI00000905 | Tetrahydrobiopterin,5TBDMS,isomer#5 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3602.974 |
RI00000906 | Tetrahydrobiopterin,5TBDMS,isomer#6 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3525.7847 |
RI00000907 | Tetrahydrobiopterin,5TBDMS,isomer#7 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3672.7285 |
RI00000908 | Tetrahydrobiopterin,5TBDMS,isomer#8 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 4056.4502 |
RI00000909 | Tetrahydrobiopterin,5TBDMS,isomer#9 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3499.1433 |
RI00000910 | Tetrahydrobiopterin,5TBDMS,isomer#10 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3430.3486 |
RI00000911 | Tetrahydrobiopterin,5TBDMS,isomer#11 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3497.356 |
RI00000912 | Tetrahydrobiopterin,5TBDMS,isomer#12 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 4136.783 |
RI00000913 | Tetrahydrobiopterin,5TBDMS,isomer#13 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3556.925 |
RI00000914 | Tetrahydrobiopterin,5TBDMS,isomer#14 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3487.913 |
RI00000915 | Tetrahydrobiopterin,5TBDMS,isomer#15 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3557.3188 |
RI00000916 | Tetrahydrobiopterin,5TBDMS,isomer#16 | JsmolC[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 811.5499 | Standard polar | 3475.1167 |
RI00000917 | Biotin,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 | TMS | 316.1277 | Semi standard non polar | 2520.526 |
RI00000918 | Biotin,1TMS,isomer#2 | JsmolC[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)O)[C@H]21 | TMS | 316.1277 | Semi standard non polar | 2546.8157 |
RI00000919 | Biotin,1TMS,isomer#3 | JsmolC[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]21 | TMS | 316.1277 | Semi standard non polar | 2539.2139 |
RI00000920 | Biotin,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 | TBDMS | 358.1746 | Semi standard non polar | 2759.897 |
RI00000921 | Biotin,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)O)[C@H]21 | TBDMS | 358.1746 | Semi standard non polar | 2768.2385 |
RI00000922 | Biotin,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]21 | TBDMS | 358.1746 | Semi standard non polar | 2758.9146 |
RI00000923 | Biotin | Jsmol[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 | Underivatized | 244.0882 | Standard polar | 3865.386 |
RI00000924 | Biotin,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C | TMS | 388.1672 | Standard non polar | 2306.1729 |
RI00000925 | Biotin,2TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C)[C@H]12 | TMS | 388.1672 | Standard non polar | 2298.2175 |