In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:0/20:4(6E,8Z,11Z,14Z))
Systematic Name
N-(6E,8Z,11Z,14Z-eicosatetraenoyl)-tetradecasphinganine
LM ID
LMSP02029AAK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
531.465144
Formula
C34H61NO3
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)
ZUBJWUZTWRTKMK-NBYDYKKZSA-N
InChi (Click to copy)
InChI=1S/C34H61NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h11,13,15-16,18-20,22,32-33,36-37H,3-10,12,14,17,21,23-31H2,1-2H3,(H,35,38)/b13-11-,16-15-,19-18-,22-20+/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCC

References

Other Databases