In-Silico Structure Database (LMISSD)

H NH OH O OH H
Common Name
Cer(d14:2(4E,6E)/36:0)
Systematic Name
N-(hexatriacontanoyl)-4E,6E-tetradecasphingadienine
LM ID
LMSP02019AIU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
759.746844
Formula
C50H97NO3
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)
RBSVVZNMAMWMFS-NRFGBREHSA-N
InChi (Click to copy)
InChI=1S/C50H97NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-50(54)51-48(47-52)49(53)45-43-41-39-37-12-10-8-6-4-2/h39,41,43,45,48-49,52-53H,3-38,40,42,44,46-47H2,1-2H3,(H,51,54)/b41-39+,45-43+/t48-,49+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

References

Other Databases