In-Silico Structure Database (LMISSD)

Common Name
Cer(t18:0/22:2(13Z,16Z))
Systematic Name
N-(13Z,16Z-docosadienoyl)-4R-hydroxysphinganine
LM ID
LMSP02039ANS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
635.585259
Formula
C40H77NO4
Predict MS/MS spectrum ([M-H]-)
Download as...
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-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
MJNUDNJHVAIFOR-ZFJAESDWSA-N
InChi (Click to copy)
InChI=1S/C40H77NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,40,42-43,45H,3-10,12,14-16,19-36H2,1-2H3,(H,41,44)/b13-11-,18-17-/t37-,38+,40-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

References

Other Databases