In-Silico Structure Database (LMISSD)
Common Name
Cer(d18:1(8E)/21:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheneicosanoyl)-8E-sphingenine
LM ID
LMSP02019BMA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
623.585259
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
PZHUWCISZGSFNH-KOBVAEOXSA-N
InChi (Click to copy)
InChI=1S/C39H77NO4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(43)39(44)40-36(35-41)37(42)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h23,25,36-38,41-43H,3-22,24,26-35H2,1-2H3,(H,40,44)/b25-23+/t36-,37+,38+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCCC