1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-gl...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001052
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001052 contains the MS2 mass spectrum of 1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine (NMR) with the InChIkey...
Source: 1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine (NMR)
Chemical Info
| InChI | InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1 |
|---|---|
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN |
| InChI Key | JGWWMNVPHKMUCV-WOBXFXBNSA-N |
| Molecular Formula | C23H42NO7P |
| Exact Mass | 475.270 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 | 943041b4-048a-43b9-bdc8-d6fba0c6d95b |
| Package id | msbnk-bs-bs001052 |
| Resource type | HTML |
| State | active |