In-Silico Structure Database (LMISSD)
Common Name
SM(d19:1(4E)/19:0)
Systematic Name
N-(nonadecanoyl)-4E-nonadecasphingenine-1-phosphocholine
LM ID
LMSP03019CBR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
758.630176
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
VLPJUAGOWJJRHC-SVLGDMRNSA-N
InChi (Click to copy)
InChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCC