In-Silico Structure Database (LMISSD)
Common Name
SM(d14:2(4E,6E)/10:0)
Systematic Name
N-(decanoyl)-4E,6E-tetradecasphingadienine-1-phosphocholine
LM ID
LMSP03019AIZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
560.395426
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
VWEONKCDXUIJIJ-LSVNIJQLSA-N
InChi (Click to copy)
InChI=1S/C29H57N2O6P/c1-6-8-10-12-14-15-17-18-20-22-28(32)27(26-37-38(34,35)36-25-24-31(3,4)5)30-29(33)23-21-19-16-13-11-9-7-2/h17-18,20,22,27-28,32H,6-16,19,21,23-26H2,1-5H3,(H-,30,33,34,35)/b18-17+,22-20+/t27-,28+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC