| SpectraBase Compound ID | 9EcUFGDMyMp |
|---|---|
| InChI | InChI=1S/C26H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(32)39-40(35,36)37-16-19-22(33)23(34)26(38-19)31-18-30-21-24(27)28-17-29-25(21)31/h17-19,22-23,26,33-34H,2-16H2,1H3,(H,35,36)(H2,27,28,29)/t19-,22-,23-,26-/m0/s1 |
| InChIKey | CMRDSXPYXCUXMI-SURPGJSWSA-N |
| Mol Weight | 585.6 g/mol |
| Molecular Formula | C26H44N5O8P |
| Exact Mass | 585.29275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fsC02pzIcO |
|---|---|
| Name | Adenosine-5'-monophosphoric_hexadecanoic_anhydride;palmitoyl_amp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 585.292750387 u |
| Formula | C26H44N5O8P |
| InChI | InChI=1S/C26H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(32)39-40(35,36)37-16-19-22(33)23(34)26(38-19)31-18-30-21-24(27)28-17-29-25(21)31/h17-19,22-23,26,33-34H,2-16H2,1H3,(H,35,36)(H2,27,28,29)/t19-,22-,23-,26-/m0/s1 |
| InChIKey | CMRDSXPYXCUXMI-SURPGJSWSA-N |
| Molecular Weight | 585.639 g/mol |
| Nominal Mass | 585 u |
| SMILES | C1(N)=NC=NC=2N(C=NC12)[C@@]1([C@@](O)([C@@](O)([C@@](O1)(COP(O)(=O)OC(=O)CCCCCCCCCCCCCCC)[H])[H])[H])[H] |