In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:1(4E)/26:2(5Z,9E))
Systematic Name
N-(5Z,9E-hexacosadienoyl)-4E-tetradecasphingenine
LM ID
LMSP02019ACR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
617.574694
Formula
C40H75NO3
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)
LUJYDLJPVWOCMA-KNUWSKBPSA-N
InChi (Click to copy)
InChI=1S/C40H75NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-12-10-8-6-4-2/h23-24,28,30,33,35,38-39,42-43H,3-22,25-27,29,31-32,34,36-37H2,1-2H3,(H,41,44)/b24-23+,30-28-,35-33+/t38-,39+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC

References

Other Databases