RI00012501 | Riboflavin,5TMS,isomer#1 | JsmolCC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C1=NC(=O)N([Si](C)(C)C)C(=O)C1=N2 | TMS | 736.3359 | Standard polar | 3909.0593 |
RI00012502 | Porphobilinogen,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CC1=C(CN)[NH]C=C1CCC(=O)O | TMS | 298.1349 | Semi standard non polar | 2258.5576 |
RI00012503 | Porphobilinogen,1TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)CCC1=C[NH]C(CN)=C1CC(=O)O | TMS | 298.1349 | Semi standard non polar | 2267.1753 |
RI00012504 | Porphobilinogen,1TMS,isomer#3 | JsmolC[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O)=C[NH]1 | TMS | 298.1349 | Semi standard non polar | 2346.4773 |
RI00012505 | Porphobilinogen,1TMS,isomer#4 | JsmolC[Si](C)(C)N1C=C(CCC(=O)O)C(CC(=O)O)=C1CN | TMS | 298.1349 | Semi standard non polar | 2321.6067 |
RI00012506 | Porphobilinogen,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CCC1=C[NH]C(CN)=C1CC(=O)O[Si](C)(C)C | TMS | 370.1744 | Semi standard non polar | 2247.8184 |
RI00012507 | Porphobilinogen,2TMS,isomer#2 | JsmolC[Si](C)(C)NCC1=C(CC(=O)O[Si](C)(C)C)C(CCC(=O)O)=C[NH]1 | TMS | 370.1744 | Semi standard non polar | 2353.8533 |
RI00012508 | Porphobilinogen,2TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)CC1=C(CN)N([Si](C)(C)C)C=C1CCC(=O)O | TMS | 370.1744 | Semi standard non polar | 2330.4717 |
RI00012509 | Porphobilinogen,2TMS,isomer#4 | JsmolC[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C[NH]1 | TMS | 370.1744 | Semi standard non polar | 2369.5603 |
RI00012510 | Porphobilinogen,2TMS,isomer#5 | JsmolC[Si](C)(C)OC(=O)CCC1=CN([Si](C)(C)C)C(CN)=C1CC(=O)O | TMS | 370.1744 | Semi standard non polar | 2325.104 |
RI00012511 | Porphobilinogen,2TMS,isomer#6 | JsmolC[Si](C)(C)N(CC1=C(CC(=O)O)C(CCC(=O)O)=C[NH]1)[Si](C)(C)C | TMS | 370.1744 | Semi standard non polar | 2449.9946 |
RI00012512 | Porphobilinogen,2TMS,isomer#7 | JsmolC[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O)=CN1[Si](C)(C)C | TMS | 370.1744 | Semi standard non polar | 2425.1301 |
RI00012513 | Porphobilinogen,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC1=C(CN)[NH]C=C1CCC(=O)O | TBDMS | 340.1818 | Semi standard non polar | 2536.9636 |
RI00012514 | Porphobilinogen,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCC1=C[NH]C(CN)=C1CC(=O)O | TBDMS | 340.1818 | Semi standard non polar | 2561.3716 |
RI00012515 | Porphobilinogen,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O)=C[NH]1 | TBDMS | 340.1818 | Semi standard non polar | 2632.1755 |
RI00012516 | Porphobilinogen,1TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)N1C=C(CCC(=O)O)C(CC(=O)O)=C1CN | TBDMS | 340.1818 | Semi standard non polar | 2599.285 |
RI00012517 | Porphobilinogen,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCC1=C[NH]C(CN)=C1CC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 454.2683 | Semi standard non polar | 2712.4575 |
RI00012518 | Porphobilinogen,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)NCC1=C(CC(=O)O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)=C[NH]1 | TBDMS | 454.2683 | Semi standard non polar | 2837.3086 |
RI00012519 | Porphobilinogen,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC1=C(CN)N([Si](C)(C)C(C)(C)C)C=C1CCC(=O)O | TBDMS | 454.2683 | Semi standard non polar | 2818.9146 |
RI00012520 | Porphobilinogen,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C[NH]1 | TBDMS | 454.2683 | Semi standard non polar | 2865.1824 |
RI00012521 | Porphobilinogen,2TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCC1=CN([Si](C)(C)C(C)(C)C)C(CN)=C1CC(=O)O | TBDMS | 454.2683 | Semi standard non polar | 2840.55 |
RI00012522 | Porphobilinogen,2TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)N(CC1=C(CC(=O)O)C(CCC(=O)O)=C[NH]1)[Si](C)(C)C(C)(C)C | TBDMS | 454.2683 | Semi standard non polar | 2912.9 |
RI00012523 | Porphobilinogen,2TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O)=CN1[Si](C)(C)C(C)(C)C | TBDMS | 454.2683 | Semi standard non polar | 2916.3992 |
RI00012524 | Porphobilinogen | JsmolNCC1=C(CC(O)=O)C(CCC(O)=O)=CN1 | Underivatized | 226.0954 | Standard polar | 3421.9512 |
RI00012525 | Porphobilinogen,3TMS,isomer#1 | JsmolC[Si](C)(C)NCC1=C(CC(=O)O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)=C[NH]1 | TMS | 442.2139 | Standard non polar | 2371.4094 |