In-Silico Structure Database (LMISSD)
Common Name
SM(d22:2(4E,8E)/24:1(15Z)(2OH[R]))
Systematic Name
N-(2R-hydroxy-15Z-tetracosenoyl)-4E,8E-docosasphingadienine-1-phosphocholine
LM ID
LMSP03019DG6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
882.718991
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
QQSRNZIXHHMPTN-UOVDIILSSA-N
InChi (Click to copy)
InChI=1S/C51H99N2O7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-44-50(55)51(56)52-48(47-60-61(57,58)59-46-45-53(3,4)5)49(54)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h20,22,33,35,41,43,48-50,54-55H,6-19,21,23-32,34,36-40,42,44-47H2,1-5H3,(H-,52,56,57,58)/b22-20-,35-33+,43-41+/t48-,49+,50+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCCCCC