In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:2(4E,8E)/24:1(15Z))
Systematic Name
N-(15Z-tetracosenoyl)-4E,8E-tetradecasphingadienine
LM ID
LMSP02019AK7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
589.543394
Formula
C38H71NO3
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)
QEAFXZJWLGYWBB-GXIDDROESA-N
InChi (Click to copy)
InChI=1S/C38H71NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-12-10-8-6-4-2/h12,15-16,25,31,33,36-37,40-41H,3-11,13-14,17-24,26-30,32,34-35H2,1-2H3,(H,39,42)/b16-15-,25-12+,33-31+/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC

References

Other Databases