In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d14:0/20:4(6E,8Z,11Z,14Z))
Systematic Name
N-(6E,8Z,11Z,14Z-eicosatetraenoyl)-tetradecasphinganine-1-phosphoethanolamine
LM ID
LMSP03029ABZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
654.473676
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
HBVLEYCGIWLPML-QREIGXHRSA-N
InChi (Click to copy)
InChI=1S/C36H67N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-36(40)38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-12-10-8-6-4-2/h11,13,15-16,18-20,22,34-35,39H,3-10,12,14,17,21,23-33,37H2,1-2H3,(H,38,40)(H,41,42)/b13-11-,16-15-,19-18-,22-20+/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCC