In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:0/14:1(9Z))
Systematic Name
N-(9Z-tetradecenoyl)-tetradecasphinganine
LM ID
LMSP02029AXI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
453.418194
Formula
C28H55NO3
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)
SVGAGRNKSRRSSU-XQTGMEDSSA-N
InChi (Click to copy)
InChI=1S/C28H55NO3/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(32)29-26(25-30)27(31)23-21-19-17-15-12-10-8-6-4-2/h9,11,26-27,30-31H,3-8,10,12-25H2,1-2H3,(H,29,32)/b11-9-/t26-,27+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)CCCCCCCCCCC

References

Other Databases