In-Silico Structure Database (LMISSD)
Common Name
SM(d14:0/14:0)
Systematic Name
N-(tetradecanoyl)-tetradecasphinganine-1-phosphocholine
LM ID
LMSP03019AAJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
620.489326
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
OASVYBHTWRJVOS-AJQTZOPKSA-N
InChi (Click to copy)
InChI=1S/C33H69N2O6P/c1-6-8-10-12-14-16-17-19-21-23-25-27-33(37)34-31(30-41-42(38,39)40-29-28-35(3,4)5)32(36)26-24-22-20-18-15-13-11-9-7-2/h31-32,36H,6-30H2,1-5H3,(H-,34,37,38,39)/t31-,32+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC