In-Silico Structure Database (LMISSD)

H NH OH O OH H
Common Name
Cer(d14:2(4E,8E)/37:0)
Systematic Name
N-(heptatriacontanoyl)-4E,8E-tetradecasphingadienine
LM ID
LMSP02019ALR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
773.762494
Formula
C51H99NO3
Predict MS/MS spectrum ([M-H]-)
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
CLUNCNXXJBJQAU-PGUPLXPQSA-N
InChi (Click to copy)
InChI=1S/C51H99NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-51(55)52-49(48-53)50(54)46-44-42-40-38-12-10-8-6-4-2/h12,38,44,46,49-50,53-54H,3-11,13-37,39-43,45,47-48H2,1-2H3,(H,52,55)/b38-12+,46-44+/t49-,50+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC

References

Other Databases