In-Silico Structure Database (LMISSD)

OH H NH OH O H
Common Name
Cer(d14:1(4E)/15:1(9Z))
Systematic Name
N-(9Z-pentadecenoyl)-4E-tetradecasphingenine
LM ID
LMSP02019AAN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
465.418194
Formula
C29H55NO3
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)
MUALFNBRSRSXJJ-WOJSFSQMSA-N
InChi (Click to copy)
InChI=1S/C29H55NO3/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-29(33)30-27(26-31)28(32)24-22-20-18-16-12-10-8-6-4-2/h11,13,22,24,27-28,31-32H,3-10,12,14-21,23,25-26H2,1-2H3,(H,30,33)/b13-11-,24-22+/t27-,28+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC

References

Other Databases