In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019A26 |
---|---|
Common Name | SM(d16:0/10:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydecanoyl)-hexadecasphinganine-1-phosphocholine |
Synonyms | SM(d26:0h); SM(d16:0/10:0h) |
Exact Mass | |
Formula | C31H65N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | QRYRTLPGEMHTPG-FRXPANAUSA-N |
InChI | InChI=1S/C31H65N2O7P/c1-6-8-10-12-14-15-16-17-18-20-21-23-29(34)28(27-40-41(37,3 8)39-26-25-33(3,4)5)32-31(36)30(35)24-22-19-13-11-9-7-2/h28-30,34-35H,6-27H2,1-5 H3,(H-,32,36,37,38)/t28-,29+,30+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)CCCCCC CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |