In-Silico Structure Database (LMISSD)
Common Name
SM(d21:0/32:0)
Systematic Name
N-(dotriacontanoyl)-heneicosasphinganine-1-phosphocholine
LM ID
LMSP03019CXE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
970.880576
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
CXYGAANSMRXICV-JBQXKKLXSA-N
InChi (Click to copy)
InChI=1S/C58H119N2O6P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-58(62)59-56(55-66-67(63,64)65-54-53-60(3,4)5)57(61)51-49-47-45-43-41-39-37-23-21-19-17-15-13-11-9-7-2/h56-57,61H,6-55H2,1-5H3,(H-,59,62,63,64)/t56-,57+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC