In-Silico Structure Database (LMISSD)
Common Name
SM(d14:0/19:0)
Systematic Name
N-(nonadecanoyl)-tetradecasphinganine-1-phosphocholine
LM ID
LMSP03019ABJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
690.567576
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
RIFJMVFTILZYLA-PQQNNWGCSA-N
InChi (Click to copy)
InChI=1S/C38H79N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-24-26-28-30-32-38(42)39-36(35-46-47(43,44)45-34-33-40(3,4)5)37(41)31-29-27-25-23-15-13-11-9-7-2/h36-37,41H,6-35H2,1-5H3,(H-,39,42,43,44)/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC