In-Silico Structure Database (LMISSD)

Common Name
Cer(d20:2(4E,8E)/22:0(2OH[R]))
Systematic Name
N-(2R-hydroxydocosanoyl)-4E,8E-eicosasphingadienine
LM ID
LMSP02019B9G
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
663.616559
Formula
C42H81NO4
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
AWOUNCBNARMXJK-GOLPPLDYSA-N
InChi (Click to copy)
InChI=1S/C42H81NO4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h26,28,34,36,39-41,44-46H,3-25,27,29-33,35,37-38H2,1-2H3,(H,43,47)/b28-26+,36-34+/t39-,40+,41+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCCC

References

Other Databases