In-Silico Structure Database (LMISSD)
Common Name
SM(d15:2(4E,6E)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
N-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-4E,6E-pentadecasphingadienine-1-phosphocholine
LM ID
LMSP03019AZO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
762.567576
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
AHFDXNKUCRCPJP-VYCYCRHMSA-N
InChi (Click to copy)
InChI=1S/C44H79N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-17-15-13-11-9-7-2/h20-21,23-24,26-27,30-33,35,37,42-43,47H,6-19,22,25,28-29,34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b21-20-,24-23-,27-26-,32-30-,33-31+,37-35+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC