In-Silico Structure Database (LMISSD)

Common Name
Cer(d15:0/26:2(5Z,9Z))
Systematic Name
N-(5Z,9Z-hexacosadienoyl)-pentadecasphinganine
LM ID
LMSP02029AD9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
633.605994
Formula
C41H79NO3
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-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
PTBKXBROSCSLNT-CMPMRESHSA-N
InChi (Click to copy)
InChI=1S/C41H79NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-14-12-10-8-6-4-2/h24-25,29,31,39-40,43-44H,3-23,26-28,30,32-38H2,1-2H3,(H,42,45)/b25-24-,31-29-/t39-,40+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC

References

Other Databases