| SpectraBase Compound ID | bMm91CVmVJ |
|---|---|
| InChI | InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/p-4/t5-,7-,8-,11-/m0/s1 |
| InChIKey | LCQWKKZWHQFOAH-RYVZHVEOSA-J |
| Mol Weight | 517.18 g/mol |
| Molecular Formula | C11H14N5O13P3 |
| Exact Mass | 516.980097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IicrPU6mbl |
|---|---|
| Name | Amino-methyl-adenosine-5'-triphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.980096512 u |
| Formula | C11H14N5O13P3 |
| InChI | InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/p-4/t5-,7-,8-,11-/m0/s1 |
| InChIKey | LCQWKKZWHQFOAH-RYVZHVEOSA-J |
| Molecular Weight | 517.176 g/mol |
| SMILES | C(OP(OP([O-])(=O)OP([O-])([O-])=O)([O-])=O)[C@]1([C@@]([C@@]([C@@](N2C=3N=CN=C(C3N=C2)NC)(O1)[H])(O)[H])(O)[H])[H] |