In-Silico Structure Database (LMISSD)
Common Name
SM(d14:1(4E)/11:0)
Systematic Name
N-(undecanoyl)-4E-tetradecasphingenine-1-phosphocholine
LM ID
LMSP03019AC9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
576.426726
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
KVWCDQAJLGLHRH-AFKONSSESA-N
InChi (Click to copy)
InChI=1S/C30H61N2O6P/c1-6-8-10-12-14-16-17-19-21-23-29(33)28(27-38-39(35,36)37-26-25-32(3,4)5)31-30(34)24-22-20-18-15-13-11-9-7-2/h21,23,28-29,33H,6-20,22,24-27H2,1-5H3,(H-,31,34,35,36)/b23-21+/t28-,29+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC