In-Silico Structure Database (LMISSD)
Common Name
SM(d14:0/18:1(4E))
Systematic Name
N-(4E-octadecenoyl)-tetradecasphinganine-1-phosphocholine
LM ID
LMSP03019AA2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
674.536276
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]
String Representations
InChiKey (Click to copy)
QEXSVMHZVDQFMJ-PZZKSDIHSA-N
InChi (Click to copy)
InChI=1S/C37H75N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-37(41)38-35(34-45-46(42,43)44-33-32-39(3,4)5)36(40)30-28-26-24-22-15-13-11-9-7-2/h25,27,35-36,40H,6-24,26,28-34H2,1-5H3,(H-,38,41,42,43)/b27-25+/t35-,36+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CC/C=C/CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC