RI01714176 | R-4'-phosphopantothenoyl-L-cysteine,2TBDMS,isomer#3 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(C(CS)C(=O)[O-])[Si](C)(C)C(C)(C)C | TBDMS | 627.2373 | Standard non polar | 3321.879 |
RI01714175 | R-4'-phosphopantothenoyl-L-cysteine,2TBDMS,isomer#2 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NC(CS)C(=O)[O-])[Si](C)(C)C(C)(C)C | TBDMS | 627.2373 | Standard non polar | 3329.5388 |
RI01714174 | R-4'-phosphopantothenoyl-L-cysteine,2TBDMS,isomer#1 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)[O-] | TBDMS | 627.2373 | Standard non polar | 3423.2156 |
RI01714173 | R-4'-phosphopantothenoyl-L-cysteine,4TMS,isomer#1 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C(=O)N(CCC(=O)N(C(CS[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)[Si](C)(C)C | TMS | 687.2225 | Standard non polar | 3136.0923 |
RI01714172 | R-4'-phosphopantothenoyl-L-cysteine,3TMS,isomer#4 | JsmolCC(C)(COP(=O)([O-])[O-])C(O)C(=O)N(CCC(=O)N(C(CS[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)[Si](C)(C)C | TMS | 615.1829 | Standard non polar | 3145.3542 |
RI01714171 | R-4'-phosphopantothenoyl-L-cysteine,3TMS,isomer#3 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C(=O)N(CCC(=O)N(C(CS)C(=O)[O-])[Si](C)(C)C)[Si](C)(C)C | TMS | 615.1829 | Standard non polar | 3021.596 |
RI01714170 | R-4'-phosphopantothenoyl-L-cysteine,3TMS,isomer#2 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C(=O)NCCC(=O)N(C(CS[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C | TMS | 615.1829 | Standard non polar | 3055.166 |
RI01714169 | R-4'-phosphopantothenoyl-L-cysteine,3TMS,isomer#1 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C(=O)N(CCC(=O)NC(CS[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C | TMS | 615.1829 | Standard non polar | 3092.785 |
RI01714168 | R-4'-phosphopantothenoyl-L-cysteine,2TMS,isomer#6 | JsmolCC(C)(COP(=O)([O-])[O-])C(O)C(=O)N(CCC(=O)N(C(CS)C(=O)[O-])[Si](C)(C)C)[Si](C)(C)C | TMS | 543.1434 | Standard non polar | 2985.74 |
RI01714167 | R-4'-phosphopantothenoyl-L-cysteine,2TMS,isomer#5 | JsmolCC(C)(COP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)N(C(CS[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C | TMS | 543.1434 | Standard non polar | 3072.938 |
RI01714166 | R-4'-phosphopantothenoyl-L-cysteine,2TMS,isomer#4 | JsmolCC(C)(COP(=O)([O-])[O-])C(O)C(=O)N(CCC(=O)NC(CS[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C | TMS | 543.1434 | Standard non polar | 3101.888 |
RI01714165 | R-4'-phosphopantothenoyl-L-cysteine,2TMS,isomer#3 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C(=O)NCCC(=O)N(C(CS)C(=O)[O-])[Si](C)(C)C | TMS | 543.1434 | Standard non polar | 2913.5063 |
RI01714164 | R-4'-phosphopantothenoyl-L-cysteine,2TMS,isomer#2 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C(=O)N(CCC(=O)NC(CS)C(=O)[O-])[Si](C)(C)C | TMS | 543.1434 | Standard non polar | 2910.7744 |
RI01714163 | R-4'-phosphopantothenoyl-L-cysteine,2TMS,isomer#1 | JsmolCC(C)(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C(=O)NCCC(=O)NC(CS[Si](C)(C)C)C(=O)[O-] | TMS | 543.1434 | Standard non polar | 3009.4631 |
RI01714162 | pppGpp,3TMS,isomer#7 | JsmolC[Si](C)(C)N(C1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O)C(=O)N1[Si](C)(C)C)[Si](C)(C)C | TMS | 892.9982 | Standard polar | 6248.283 |
RI01714161 | pppGpp,3TMS,isomer#6 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C2O)C(=O)N1[Si](C)(C)C | TMS | 892.9982 | Standard polar | 6185.559 |
RI01714160 | pppGpp,3TMS,isomer#5 | JsmolC[Si](C)(C)OP(=O)([O-])OP(=O)([O-])OC1C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1O | TMS | 892.9982 | Standard polar | 6112.0356 |
RI01714159 | pppGpp,3TMS,isomer#4 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O[Si](C)(C)C)C(=O)N1[Si](C)(C)C | TMS | 892.9982 | Standard polar | 6243.226 |
RI01714158 | pppGpp,3TMS,isomer#3 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O | TMS | 892.9982 | Standard polar | 6168.6494 |
RI01714157 | pppGpp,3TMS,isomer#2 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O | TMS | 892.9982 | Standard polar | 6622.14 |
RI01714156 | pppGpp,3TMS,isomer#1 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)[NH]1 | TMS | 892.9982 | Standard polar | 6132.994 |
RI01714155 | pppGpp,2TMS,isomer#7 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O)C(=O)N1[Si](C)(C)C | TMS | 820.9587 | Standard polar | 6605.712 |
RI01714154 | pppGpp,2TMS,isomer#6 | JsmolC[Si](C)(C)N(C1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O)C(=O)[NH]1)[Si](C)(C)C | TMS | 820.9587 | Standard polar | 6528.2285 |
RI01714153 | pppGpp,2TMS,isomer#5 | JsmolC[Si](C)(C)OP(=O)([O-])OP(=O)([O-])OC1C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1O | TMS | 820.9587 | Standard polar | 6926.915 |
RI01714152 | pppGpp,2TMS,isomer#4 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C2O)C(=O)[NH]1 | TMS | 820.9587 | Standard polar | 6461.696 |