In-Silico Structure Database (LMISSD)
Common Name
SM(d14:0/17:0)
Systematic Name
N-(heptadecanoyl)-tetradecasphinganine-1-phosphocholine
LM ID
LMSP03019AAT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
662.536276
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
JKLIZYJVWFCGFV-OIDHKYIRSA-N
InChi (Click to copy)
InChI=1S/C36H75N2O6P/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/h34-35,39H,6-33H2,1-5H3,(H-,37,40,41,42)/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC