1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107606_EF88
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107606_EF88 contains the MS2 mass spectrum of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine with the...
Source: 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
Chemical Info
| InChI | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/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(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O |
| InChI Key | WTJKGGKOPKCXLL-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 | 69600ec5-4040-47fa-8a97-a8fa1654345d |
| Package id | msbnk-antwerp_univ-metox_n107606_ef88 |
| Resource type | HTML |
| State | active |