In-Silico Structure Database (LMISSD)
Common Name
CerP(d22:1(8E)/26:0(2OH[R]))
Systematic Name
N-(2R-hydroxyhexacosanoyl)-8E-docosasphingenine-1-phosphate
LM ID
LMSP02059DEF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
829.692442
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]
String Representations
InChiKey (Click to copy)
IHPSQGVQTRZZBN-MHAAFCLTSA-N
InChi (Click to copy)
InChI=1S/C48H96NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-43-47(51)48(52)49-45(44-56-57(53,54)55)46(50)42-40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h32,34,45-47,50-51H,3-31,33,35-44H2,1-2H3,(H,49,52)(H2,53,54,55)/b34-32+/t45-,46+,47+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCCCCCCC