In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d19:0/13:0(2OH[R]))
Systematic Name
N-(2R-hydroxydodecanoyl)-nonadecasphinganine-1-phosphoethanolamine
LM ID
LMSP03029B7S
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
650.499891
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
ZKOGHHVYSBFCHW-WIHCDAFUSA-N
InChi (Click to copy)
InChI=1S/C34H71N2O7P/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-26-32(37)31(30-43-44(40,41)42-29-28-35)36-34(39)33(38)27-25-23-21-18-12-10-8-6-4-2/h31-33,37-38H,3-30,35H2,1-2H3,(H,36,39)(H,40,41)/t31-,32+,33+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCC