In-Silico Structure Database (LMISSD)

Common Name
Cer(d17:0/20:4(5Z,8Z,11Z,14Z))
Systematic Name
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-heptadecasphinganine
LM ID
LMSP02029AI7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
573.512094
Formula
C37H67NO3
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)
RSMMOAWSMMSICX-CQQVWAFTSA-N
InChi (Click to copy)
InChI=1S/C37H67NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-37(41)38-35(34-39)36(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,25,27,35-36,39-40H,3-10,12,14-16,19,22-24,26,28-34H2,1-2H3,(H,38,41)/b13-11-,18-17-,21-20-,27-25-/t35-,36+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCC

References

Other Databases