In-Silico Structure Database (LMISSD)

Common Name
Cer(d18:0/26:2(5E,9Z))
Systematic Name
N-(5Z,9E-hexacosadienoyl)-sphinganine
LM ID
LMSP02029AMV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
675.652944
Formula
C44H85NO3
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)
SNPIRHLAYGWCJY-APJWICJOSA-N
InChi (Click to copy)
InChI=1S/C44H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h25-26,32,34,42-43,46-47H,3-24,27-31,33,35-41H2,1-2H3,(H,45,48)/b26-25-,34-32+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases