In-Silico Structure Database (LMISSD)
Common Name
SM(d14:0/13:0)
Systematic Name
N-(tridecanoyl)-tetradecasphinganine-1-phosphocholine
LM ID
LMSP03019AAH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
606.473676
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
VBMZMWFMLWOIIH-IOWSJCHKSA-N
InChi (Click to copy)
InChI=1S/C32H67N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-32(36)33-30(29-40-41(37,38)39-28-27-34(3,4)5)31(35)25-23-21-19-17-15-13-11-9-7-2/h30-31,35H,6-29H2,1-5H3,(H-,33,36,37,38)/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC