In-Silico Structure Database (LMISSD)
Common Name
SM(d14:0/20:4(6E,8Z,11Z,14Z))
Systematic Name
N-(6E,8Z,11Z,14Z-eicosatetraenoyl)-tetradecasphinganine-1-phosphocholine
LM ID
LMSP03019ABZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
696.520626
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
ACZROKHKEBZCQO-PTSQJEPOSA-N
InChi (Click to copy)
InChI=1S/C39H73N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-39(43)40-37(36-47-48(44,45)46-35-34-41(3,4)5)38(42)32-30-28-26-24-15-13-11-9-7-2/h14,16,18-19,21-23,25,37-38,42H,6-13,15,17,20,24,26-36H2,1-5H3,(H-,40,43,44,45)/b16-14-,19-18-,22-21-,25-23+/t37-,38+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCC