![N(6)-[N-[N-(2-HYDROXY-3-METHACRYLAMIDOPROPYL)-CARBAMOYLMETHYL]-CARBAMOYLMETHYL]-ADENOSINE-TRIPHOSPHATE](/api/spectrum/ARGt27tnPtQ/structure.png?h=300&w=458 "N(6)-[N-[N-(2-HYDROXY-3-METHACRYLAMIDOPROPYL)-CARBAMOYLMETHYL]-CARBAMOYLMETHYL]-ADENOSINE-TRIPHOSPHATE")
| SpectraBase Compound ID | C1m0g2NA2ul |
|---|---|
| InChI | InChI=1S/C21H30N8O17P3/c1-10(2)20(35)25-4-11(30)3-22-13(31)5-23-14(32)6-24-18-15-19(27-8-26-18)29(9-28-15)21-17(34)16(33)12(44-21)7-43-48(39,40)46-49(41,42)45-47(36,37)38/h8-9,11-12,16-17,21,30,33-34H,1,3-7H2,2H3,(H,22,31)(H,23,32)(H,25,35)(H,24,26,27)(H,36,37,38)/t11?,12-,16-,17-,21-/m1/s1 |
| InChIKey | YRLFVMUJJWFPNT-BMZRXJPDSA-N |
| Mol Weight | 759.43 g/mol |
| Molecular Formula | C21H30N8O17P3 |
| Exact Mass | 759.094178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARGt27tnPtQ |
|---|---|
| Name | N(6)-[N-[N-(2-HYDROXY-3-METHACRYLAMIDOPROPYL)-CARBAMOYLMETHYL]-CARBAMOYLMETHYL]-ADENOSINE-TRIPHOSPHATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29N8O17P3 |
| InChI | InChI=1S/C21H30N8O17P3/c1-10(2)20(35)25-4-11(30)3-22-13(31)5-23-14(32)6-24-18-15-19(27-8-26-18)29(9-28-15)21-17(34)16(33)12(44-21)7-43-48(39,40)46-49(41,42)45-47(36,37)38/h8-9,11-12,16-17,21,30,33-34H,1,3-7H2,2H3,(H,22,31)(H,23,32)(H,25,35)(H,24,26,27)(H,36,37,38)/t11?,12-,16-,17-,21-/m1/s1 |
| InChIKey | YRLFVMUJJWFPNT-BMZRXJPDSA-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 | 758.426 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT8485 |