1-(9Z,12Z-Octadecadienoyl)-2-hydroxy-sn-glycero...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001058
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001058 contains the MS2 mass spectrum of 1-(9Z,12Z-Octadecadienoyl)-2-hydroxy-sn-glycero-3-phosphoethanolamine (NMR) with the InChIkey...
Source: 1-(9Z,12Z-Octadecadienoyl)-2-hydroxy-sn-glycero-3-phosphoethanolamine (NMR)
Chemical Info
| InChI | InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O |
| InChI Key | DBHKHNGBVGWQJE-USWSLJGRSA-N |
| Molecular Formula | C23H44NO7P |
| Exact Mass | 477.286 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 | 142af0f0-af88-4d21-a6a3-a22f5922f946 |
| Package id | msbnk-bs-bs001058 |
| Resource type | HTML |
| State | active |