In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019CJL |
---|---|
Common Name | SM(d20:0/16:0) |
Systematic Name | N-(hexadecanoyl)-eicosasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C41H85N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | QCMRGOORAJRKRG-IOLBBIBUSA-N |
InChI | InChI=1S/C41H85N2O6P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-40(44)39(3 8-49-50(46,47)48-37-36-43(3,4)5)42-41(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7 -2/h39-40,44H,6-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCC CCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |