In-Silico Structure Database (LMISSD)
Common Name
SM(d20:1(4E)/23:0(2OH[R]))
Systematic Name
N-(2R-hydroxytricosanoyl)-4E-eicosasphingenine-1-phosphocholine
LM ID
LMSP03019CN6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
844.703341
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
AOBZFPVJGWDMMR-FUUCGPAUSA-N
InChi (Click to copy)
InChI=1S/C48H97N2O7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-47(52)48(53)49-45(44-57-58(54,55)56-43-42-50(3,4)5)46(51)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h38,40,45-47,51-52H,6-37,39,41-44H2,1-5H3,(H-,49,53,54,55)/b40-38+/t45-,46+,47+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCCC