In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d19:0/18:0(2OH[R]))
Systematic Name
N-(2R-hydroxyoctadecanoyl)-nonadecasphinganine-1-phosphoethanolamine
LM ID
LMSP03029B78
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
720.578141
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
MKQOFXZOWLOJDV-YXWIYCFASA-N
InChi (Click to copy)
InChI=1S/C39H81N2O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(42)36(35-48-49(45,46)47-34-33-40)41-39(44)38(43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38,42-43H,3-35,40H2,1-2H3,(H,41,44)(H,45,46)/t36-,37+,38+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCC