In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AL8 |
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Common Name | SM(d14:2(4E,8E)/16:0(2OH[R])) |
Systematic Name | N-(2R-hydroxyhexadecanoyl)-4E,8E-tetradecasphingadienine-1-phosphocholine |
Synonyms | SM(d30:2h); SM(d14:2/16:0h) |
Exact Mass | |
Formula | C35H69N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | KFPBYZLNBPZVKN-PDTIIZHNSA-N |
InChI | InChI=1S/C35H69N2O7P/c1-6-8-10-12-14-16-17-18-20-22-24-26-28-34(39)35(40)36-32(3 1-44-45(41,42)43-30-29-37(3,4)5)33(38)27-25-23-21-19-15-13-11-9-7-2/h15,19,25,27 ,32-34,38-39H,6-14,16-18,20-24,26,28-31H2,1-5H3,(H-,36,40,41,42)/b19-15+,27-25+/ t32-,33+,34+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCCCCCC)=O)[C@]([H])(O) /C=C/CC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |