In-Silico Structure Database (LMISSD)

Common Name
Cer(d18:0/20:4(5Z,8Z,10E,14Z))
Systematic Name
N-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sphinganine
LM ID
LMSP02029AL1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
587.527744
Formula
C38H69NO3
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)
ZRFOQZODEJZGDJ-OMPOSJRLSA-N
InChi (Click to copy)
InChI=1S/C38H69NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,18-20,22,26,28,36-37,40-41H,3-10,12,14-17,21,23-25,27,29-35H2,1-2H3,(H,39,42)/b13-11-,19-18+,22-20-,28-26-/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases