![N(6)-[N-[2-[N-(2-METHACRYLAMIDOETHYL)-CARBAMOYL]-ETHYL]-CARBAMOYLMETHYL]-ADENOSINE-TRIPHOSPHATE](/api/spectrum/G51BUpP3NJQ/structure.png?h=300&w=458 "N(6)-[N-[2-[N-(2-METHACRYLAMIDOETHYL)-CARBAMOYL]-ETHYL]-CARBAMOYLMETHYL]-ADENOSINE-TRIPHOSPHATE")
| SpectraBase Compound ID | 3hpa0B3of87 |
|---|---|
| InChI | InChI=1S/C21H30N8O16P3/c1-11(2)20(34)24-6-5-23-13(30)3-4-22-14(31)7-25-18-15-19(27-9-26-18)29(10-28-15)21-17(33)16(32)12(43-21)8-42-47(38,39)45-48(40,41)44-46(35,36)37/h9-10,12,16-17,21,32-33H,1,3-8H2,2H3,(H,22,31)(H,23,30)(H,24,34)(H,25,26,27)(H,35,36,37)/t12-,16-,17-,21-/m1/s1 |
| InChIKey | QXQCDLYJMLOVLX-AQZHONCQSA-N |
| Mol Weight | 743.43 g/mol |
| Molecular Formula | C21H30N8O16P3 |
| Exact Mass | 743.099263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G51BUpP3NJQ |
|---|---|
| Name | N(6)-[N-[2-[N-(2-METHACRYLAMIDOETHYL)-CARBAMOYL]-ETHYL]-CARBAMOYLMETHYL]-ADENOSINE-TRIPHOSPHATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29N8O16P3 |
| InChI | InChI=1S/C21H30N8O16P3/c1-11(2)20(34)24-6-5-23-13(30)3-4-22-14(31)7-25-18-15-19(27-9-26-18)29(10-28-15)21-17(33)16(32)12(43-21)8-42-47(38,39)45-48(40,41)44-46(35,36)37/h9-10,12,16-17,21,32-33H,1,3-8H2,2H3,(H,22,31)(H,23,30)(H,24,34)(H,25,26,27)(H,35,36,37)/t12-,16-,17-,21-/m1/s1 |
| InChIKey | QXQCDLYJMLOVLX-AQZHONCQSA-N |
| Literature Reference Author | Y.YAMAZAKI,H.MAEDA |
| Literature Reference Citation | AGR.BIOL.CHEM.,45,2091(1981) |
| Literature Reference DOI | 10.1271/bbb1961.45.2091 |
| Molecular Weight | 742.427 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT8484 |