In-Silico Structure Database (LMISSD)
Common Name
SM(d14:1(4E)/12:0)
Systematic Name
N-(dodecanoyl)-4E-tetradecasphingenine-1-phosphocholine
LM ID
LMSP03019ADB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
590.442376
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
JNAZGXNXDLMPHB-DQBIDPIGSA-N
InChi (Click to copy)
InChI=1S/C31H63N2O6P/c1-6-8-10-12-14-16-18-20-22-24-30(34)29(28-39-40(36,37)38-27-26-33(3,4)5)32-31(35)25-23-21-19-17-15-13-11-9-7-2/h22,24,29-30,34H,6-21,23,25-28H2,1-5H3,(H-,32,35,36,37)/b24-22+/t29-,30+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC