In-Silico Structure Database (LMISSD)
Common Name
Cer(d14:2(4E,8E)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
N-(7Z,10Z,13Z,16Z-docosatetraenoyl)-4E,8E-tetradecasphingadienine
LM ID
LMSP02019AKX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
555.465144
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
JYADYZUMCCHDLD-FJPXJZQVSA-N
InChi (Click to copy)
InChI=1S/C36H61NO3/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/h11-13,15-16,18-19,21-23,29,31,34-35,38-39H,3-10,14,17,20,24-28,30,32-33H2,1-2H3,(H,37,40)/b13-11-,16-15-,19-18-,22-21-,23-12+,31-29+/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC