In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d14:0/25:0)
Systematic Name
N-(pentacosanoyl)-tetradecasphinganine-1-phosphoethanolamine
LM ID
LMSP03029ACM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
732.614526
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
KDZCFAKLEKETNF-IOLBBIBUSA-N
InChi (Click to copy)
InChI=1S/C41H85N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-41(45)43-39(38-49-50(46,47)48-37-36-42)40(44)34-32-30-28-26-12-10-8-6-4-2/h39-40,44H,3-38,42H2,1-2H3,(H,43,45)(H,46,47)/t39-,40+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC