In-Silico Structure Database (LMISSD)
Common Name
SM(d14:1(4E)/17:0)
Systematic Name
N-(heptadecanoyl)-4E-tetradecasphingenine-1-phosphocholine
LM ID
LMSP03019ADP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
660.520626
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
FJYURYAFGRADQP-WSYRTZMQSA-N
InChi (Click to copy)
InChI=1S/C36H73N2O6P/c1-6-8-10-12-14-16-17-18-19-20-22-24-26-28-30-36(40)37-34(33-44-45(41,42)43-32-31-38(3,4)5)35(39)29-27-25-23-21-15-13-11-9-7-2/h27,29,34-35,39H,6-26,28,30-33H2,1-5H3,(H-,37,40,41,42)/b29-27+/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC