| SpectraBase Compound ID | 3sIiLRkAuK9 |
|---|---|
| InChI | InChI=1S/C18H26N5O11PS2/c24-11(25)1-3-36-8-22(9-37-4-2-12(26)27)16-13-17(20-6-19-16)23(7-21-13)18-15(29)14(28)10(34-18)5-33-35(30,31)32/h6-7,10,14-15,18,28-29H,1-5,8-9H2,(H,24,25)(H,26,27)(H2,30,31,32) |
| InChIKey | XDADJNPTAIMVSH-UHFFFAOYSA-N |
| Mol Weight | 583.52 g/mol |
| Molecular Formula | C18H26N5O11PS2 |
| Exact Mass | 583.080786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20OnGCPFjFJ |
|---|---|
| Name | N/6/,N/6/-Bis((2-carboxyethyl)thiomethyl)-adenosine monophosphate |
| CAS Registry Number | 69360-98-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H26N5O11PS2 |
| InChI | InChI=1S/C18H26N5O11PS2/c24-11(25)1-3-36-8-22(9-37-4-2-12(26)27)16-13-17(20-6-19-16)23(7-21-13)18-15(29)14(28)10(34-18)5-33-35(30,31)32/h6-7,10,14-15,18,28-29H,1-5,8-9H2,(H,24,25)(H,26,27)(H2,30,31,32) |
| InChIKey | XDADJNPTAIMVSH-UHFFFAOYSA-N |
| Literature Reference | Y. Yamazaki, H. Suzuki, Eur. J. Biochem. 92, 197 (1978). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |