N-(octadecanoyl)-sphing-4-enine-1-phosphocholine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N109134_3B51
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N109134_3B51 contains the MS2 mass spectrum of N-(octadecanoyl)-sphing-4-enine-1-phosphocholine with the InChIkey...
Chemical Info
| InChI | InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1 |
|---|---|
| SMILES | C[N+](C)(C)CCOP([O-])(=O)OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC |
| InChI Key | LKQLRGMMMAHREN-YJFXYUILSA-N |
| Molecular Formula | C41H83N2O6P |
| Exact Mass | 730.599 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 | No License Provided |
| Id | a5a0cd65-4766-4cf7-9660-4f301438ceae |
| Package id | msbnk-antwerp_univ-metox_n109134_3b51 |
| Resource type | HTML |
| State | active |