In-Silico Structure Database (LMISSD)

Common Name
Cer(d15:0/13:0)
Systematic Name
N-(tridecanoyl)-pentadecasphinganine
LM ID
LMSP02029ABY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
455.433844
Formula
C28H57NO3
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-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
GZBZDIUIIPSJFE-RRPNLBNLSA-N
InChi (Click to copy)
InChI=1S/C28H57NO3/c1-3-5-7-9-11-13-15-17-19-21-23-27(31)26(25-30)29-28(32)24-22-20-18-16-14-12-10-8-6-4-2/h26-27,30-31H,3-25H2,1-2H3,(H,29,32)/t26-,27+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC

References

Other Databases