1,2-diheptadecanoyl-sn-glycero-3-phosphocholine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107416_CC60
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107416_CC60 contains the MS2 mass spectrum of 1,2-diheptadecanoyl-sn-glycero-3-phosphocholine with the InChIkey...
Chemical Info
| InChI | InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC |
| InChI Key | RTWAYAIMWLNAJW-RRHRGVEJSA-N |
| Molecular Formula | C42H84NO8P |
| Exact Mass | 761.593 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 4.0 International (CC BY 4.0) |
| Id | b364243f-f392-4aa7-aeec-a50fbe5894de |
| Package id | msbnk-antwerp_univ-metox_n107416_cc60 |
| Resource type | HTML |
| State | active |