n-Hexadecanoyl Coenzyme A, Hexadecanoyl...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS031907
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS031907 contains the MS2 mass spectrum of n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt,...
Source: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA
Chemical Info
| InChI | InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52) |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O |
| InChI Key | MNBKLUUYKPBKDU-UHFFFAOYSA-N |
| Molecular Formula | C37H66N7O17P3S |
| Exact Mass | 1005.960 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 | bcfd01ef-68c3-45d9-b38e-ad658db812ab |
| Package id | msbnk-riken_respect-ps031907 |
| Resource type | HTML |
| State | active |