In-Silico Structure Database (LMISSD)

Common Name
Cer(t18:0/13:0)
Systematic Name
N-(tridecanoyl)-4R-hydroxysphinganine
LM ID
LMSP02039AL1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
513.475709
Formula
C31H63NO4
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-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
PXAFNKAYPHLUSA-FLBADVGZSA-N
InChi (Click to copy)
InChI=1S/C31H63NO4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-29(34)31(36)28(27-33)32-30(35)26-24-22-20-18-14-12-10-8-6-4-2/h28-29,31,33-34,36H,3-27H2,1-2H3,(H,32,35)/t28-,29+,31-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

References

Other Databases