In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:0/18:3(6Z,9Z,12Z))
Systematic Name
N-(6Z,9Z,12Z-octadecatrienoyl)-tetradecasphinganine
LM ID
LMSP02029AX7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
505.449494
Formula
C32H59NO3
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)
SLSYAIFXLDQYKR-JTHQRABWSA-N
InChi (Click to copy)
InChI=1S/C32H59NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h11,13,15-16,18,20,30-31,34-35H,3-10,12,14,17,19,21-29H2,1-2H3,(H,33,36)/b13-11-,16-15-,20-18-/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCC

References

Other Databases