In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d19:1(4E)/11:0(2OH[R]))
Systematic Name
N-(2R-hydroxyundecanoyl)-4E-nonadecasphingenine-1-phosphoethanolamine
LM ID
LMSP03029CAK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
620.452941
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
LYIIGTSXXYCHDA-GKHBWUJYSA-N
InChi (Click to copy)
InChI=1S/C32H65N2O7P/c1-3-5-7-9-11-12-13-14-15-16-17-19-20-22-24-30(35)29(28-41-42(38,39)40-27-26-33)34-32(37)31(36)25-23-21-18-10-8-6-4-2/h22,24,29-31,35-36H,3-21,23,25-28,33H2,1-2H3,(H,34,37)(H,38,39)/b24-22+/t29-,30+,31+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCC