dephospho CoA, 3'-Dephosphocoenzyme A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS015907
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS015907 contains the MS2 mass spectrum of dephospho CoA, 3'-Dephosphocoenzyme A with the InChIkey KDTSHFARGAKYJN-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26) |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C(C(=O)NCCC(=O)NCCS)O |
| InChI Key | KDTSHFARGAKYJN-UHFFFAOYSA-N |
| Molecular Formula | C21H35N7O13P2S |
| Exact Mass | 687.564 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 08c51fdc-e1b9-45be-a3f3-8814de8a3767 |
| Package id | msbnk-riken_respect-ps015907 |
| Resource type | HTML |
| State | active |