In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:2(4E,6E)/20:1(13Z))
Systematic Name
N-(13Z-eicosenoyl)-4E,6E-tetradecasphingadienine
LM ID
LMSP02019AHI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
533.480794
Formula
C34H63NO3
Predict MS/MS spectrum ([M-H]-)
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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)
KUOOQNANXLJQMK-UZZQTILYSA-N
InChi (Click to copy)
InChI=1S/C34H63NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h13-14,23,25,27,29,32-33,36-37H,3-12,15-22,24,26,28,30-31H2,1-2H3,(H,35,38)/b14-13-,25-23+,29-27+/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCC/C=C\CCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

References

Other Databases