In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:0/18:2(2E,4E))
Systematic Name
N-(2E,4E-octadecadienoyl)-tetradecasphinganine
LM ID
LMSP02029AX1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
507.465144
Formula
C32H61NO3
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)
JGOAIGWXDNJSCE-NIUHGIHHSA-N
InChi (Click to copy)
InChI=1S/C32H61NO3/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/h22,24,26,28,30-31,34-35H,3-21,23,25,27,29H2,1-2H3,(H,33,36)/b24-22+,28-26+/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(/C=C/C=C/CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC

References

Other Databases