In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d14:0/18:3(9Z,12Z,15Z))
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl)-tetradecasphinganine-1-phosphoethanolamine
LM ID
LMSP03029ABF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
628.458026
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
HKYHFJBIGXOQPH-NUBAHHCASA-N
InChi (Click to copy)
InChI=1S/C34H65N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(38)36-32(31-42-43(39,40)41-30-29-35)33(37)27-25-23-21-19-12-10-8-6-4-2/h5,7,11,13,15-16,32-33,37H,3-4,6,8-10,12,14,17-31,35H2,1-2H3,(H,36,38)(H,39,40)/b7-5-,13-11-,16-15-/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)[C@]([H])(O)CCCCCCCCCCC