In-Silico Structure Database (LMISSD)
Common Name
Cer(d22:1(4E)/23:0)
Systematic Name
N-(tricosanoyl)-4E-docosasphingenine
LM ID
LMSP02019CLB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
691.684244
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
FJOVJFJTLPOSSJ-JVXAVJMUSA-N
InChi (Click to copy)
InChI=1S/C45H89NO3/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-45(49)46-43(42-47)44(48)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h38,40,43-44,47-48H,3-37,39,41-42H2,1-2H3,(H,46,49)/b40-38+/t43-,44+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCCCCC