In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d14:1(4E)/12:0)
Systematic Name
N-(dodecanoyl)-4E-tetradecasphingenine-1-phosphoethanolamine
LM ID
LMSP03029ADB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
548.395426
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
GETPZZOKNARQIS-YGLQXMQYSA-N
InChi (Click to copy)
InChI=1S/C28H57N2O6P/c1-3-5-7-9-11-13-15-17-19-21-27(31)26(25-36-37(33,34)35-24-23-29)30-28(32)22-20-18-16-14-12-10-8-6-4-2/h19,21,26-27,31H,3-18,20,22-25,29H2,1-2H3,(H,30,32)(H,33,34)/b21-19+/t26-,27+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC