In-Silico Structure Database (LMISSD)
Common Name
CerP(d22:1(8E)/17:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheptadecanoyl)-8E-docosasphingenine-1-phosphate
LM ID
LMSP02059DCK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
703.551592
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]
String Representations
InChiKey (Click to copy)
PWXKGMWBHUPFRM-KOBVAEOXSA-N
InChi (Click to copy)
InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-37(41)36(35-47-48(44,45)46)40-39(43)38(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h23,25,36-38,41-42H,3-22,24,26-35H2,1-2H3,(H,40,43)(H2,44,45,46)/b25-23+/t36-,37+,38+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC([C@H](O)CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCCCCCCC