| Record Information |
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| Version | 1.0 |
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| Created at | 2023-04-11 00:00:00 UTC |
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| Updated at | 2023-04-11 00:00:00 UTC |
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| RI-Pred ID | RI00066414 |
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|
| Compound Identification |
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| Common Name | Acetyl-CoA |
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| Structure | |
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| Average Molecular Weight | 809.1258 |
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| SMILES | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 |
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| Physical Properties |
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| Predicted Properties | | Property | Value | Reference |
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| Retention Index | 5645.5703 |
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| References |
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| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
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