In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:0/18:4(9E,11E,13E,15E))
Systematic Name
N-(9E,11E,13E,15E-octadecatetraenoyl)-tetradecasphinganine
LM ID
LMSP02029AYA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
503.433844
Formula
C32H57NO3
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)
FJGJMNCOMQTLSN-QMJYUPMLSA-N
InChi (Click to copy)
InChI=1S/C32H57NO3/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/h5,7,9,11,13-16,30-31,34-35H,3-4,6,8,10,12,17-29H2,1-2H3,(H,33,36)/b7-5+,11-9+,14-13+,16-15+/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)[C@]([H])(O)CCCCCCCCCCC

References

Other Databases