In-Silico Structure Database (LMISSD)
Common Name
SM(d19:1(8E)/18:4(9E,11E,13E,15E))
Systematic Name
N-(9E,11E,13E,15E-octadecatetraenoyl)-8E-nonadecasphingenine-1-phosphocholine
LM ID
LMSP03019CEL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
736.551926
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
ZXKIPEIEWAXYCK-ACZCSNJCSA-N
InChi (Click to copy)
InChI=1S/C42H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(46)43-40(39-50-51(47,48)49-38-37-44(3,4)5)41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,25,27,40-41,45H,6-7,9,11,13,15,17,19,21,23-24,26,28-39H2,1-5H3,(H-,43,46,47,48)/b10-8+,14-12+,18-16+,22-20+,27-25+/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCCCC