1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107806_FB57
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107806_FB57 contains the MS2 mass spectrum of 1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine with the...
Source: 1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
Chemical Info
| InChI | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 |
|---|---|
| SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O |
| InChI Key | RRVPPYNAZJRZFR-VYOBOKEXSA-N |
| Molecular Formula | C42H82NO8P |
| Exact Mass | 759.578 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 | a5628f85-ee5d-43d7-88f5-6a81076e7141 |
| Package id | msbnk-antwerp_univ-metox_n107806_fb57 |
| Resource type | HTML |
| State | active |