In-Silico Structure Database (LMISSD)
Common Name
CerP(d22:2(4E,8E)/18:0(2OH[R]))
Systematic Name
N-(2R-hydroxyoctadecanoyl)-4E,8E-docosasphingadienine-1-phosphate
LM ID
LMSP02059DFK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
715.551592
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]
String Representations
InChiKey (Click to copy)
SIFJVMLKAUWIAD-USIJEZCTSA-N
InChi (Click to copy)
InChI=1S/C40H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-38(42)37(36-48-49(45,46)47)41-40(44)39(43)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h24,26,32,34,37-39,42-43H,3-23,25,27-31,33,35-36H2,1-2H3,(H,41,44)(H2,45,46,47)/b26-24+,34-32+/t37-,38+,39+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC([C@H](O)CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCCCCC