Triacylglycerol 16:0-16:0-18:1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000558
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000558 contains the MS mass spectrum of Triacylglycerol 16:0-16:0-18:1 with the InChIkey CXTGMKVLPBAFQU-CUXNAULPSA-N.
Source: Triacylglycerol 16:0-16:0-18:1
Chemical Info
| InChI | InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h37,40,50H,4-36,38-39,41-49H2,1-3H3/b40-37- |
|---|---|
| SMILES | C(CC(OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)=O)C=CCCCCCCCCCCCCC |
| InChI Key | CXTGMKVLPBAFQU-CUXNAULPSA-N |
| Molecular Formula | C53H100O6 |
| Exact Mass | 832.752 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 2183bef6-5129-4e9e-8e17-144d5402d4d3 |
| Package id | msbnk-chubu_univ-ut000558 |
| Resource type | HTML |
| State | active |