In-Silico Structure Database (LMISSD)

Common Name
Cer(d15:2(4E,6E)/17:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheptadecanoyl)-4E,6E-pentadecasphingadienine
LM ID
LMSP02019AR4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
523.460059
Formula
C32H61NO4
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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-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
HURAFJDPUWJQII-TVUNPOHNSA-N
InChi (Click to copy)
InChI=1S/C32H61NO4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-31(36)32(37)33-29(28-34)30(35)26-24-22-20-18-14-12-10-8-6-4-2/h20,22,24,26,29-31,34-36H,3-19,21,23,25,27-28H2,1-2H3,(H,33,37)/b22-20+,26-24+/t29-,30+,31+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

References

Other Databases