In-Silico Structure Database (LMISSD)
Common Name
SM(d14:0/28:0)
Systematic Name
N-(octacosanoyl)-tetradecasphinganine-1-phosphocholine
LM ID
LMSP03019ACU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
816.708426
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
IODQAUUFSUVFJA-CRCOQUFZSA-N
InChi (Click to copy)
InChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC