In-Silico Structure Database (LMISSD)
Common Name
Cer(d14:2(4E,8E)/22:0)
Systematic Name
N-(docosanoyl)-4E,8E-tetradecasphingadienine
LM ID
LMSP02019AKT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
563.527744
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
DFTLXXYSXWLEIF-VDVHJXGASA-N
InChi (Click to copy)
InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-12-10-8-6-4-2/h12,23,29,31,34-35,38-39H,3-11,13-22,24-28,30,32-33H2,1-2H3,(H,37,40)/b23-12+,31-29+/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC