In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d18:2(4E,8E)/24:0(2OH[R]))
Systematic Name
N-(2R-hydroxytetracosanoyl)-4E,8E-sphingadienine-1-phosphoethanolamine
LM ID
LMSP03029B6W
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
786.625091
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
BIBAQUUFIHRCID-PXKCTTIISA-N
InChi (Click to copy)
InChI=1S/C44H87N2O7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-43(48)44(49)46-41(40-53-54(50,51)52-39-38-45)42(47)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h26,28,34,36,41-43,47-48H,3-25,27,29-33,35,37-40,45H2,1-2H3,(H,46,49)(H,50,51)/b28-26+,36-34+/t41-,42+,43+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCC