In-Silico Structure Database (LMISSD)

Common Name
Cer(d16:2(4E,8E)/10:0(2OH[R]))
Systematic Name
N-(2R-hydroxydecanoyl)-4E,8E-hexadecasphingadienine
LM ID
LMSP02019A52
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
439.366159
Formula
C26H49NO4
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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)
BWWDJEQASSRAKR-TXKRGCCKSA-N
InChi (Click to copy)
InChI=1S/C26H49NO4/c1-3-5-7-9-11-12-13-14-15-17-18-20-24(29)23(22-28)27-26(31)25(30)21-19-16-10-8-6-4-2/h13-14,18,20,23-25,28-30H,3-12,15-17,19,21-22H2,1-2H3,(H,27,31)/b14-13+,20-18+/t23-,24+,25+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCC

References

Other Databases