In-Silico Structure Database (LMISSD)

Common Name
Cer(d15:2(4E,8E)/11:0(2OH[R]))
Systematic Name
N-(2R-hydroxyundecanoyl)-4E,8E-pentadecasphingadienine
LM ID
LMSP02019AUK
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)
KVMBAKZTEVVZSC-LSOXVRCZSA-N
InChi (Click to copy)
InChI=1S/C26H49NO4/c1-3-5-7-9-11-12-13-15-16-18-20-24(29)23(22-28)27-26(31)25(30)21-19-17-14-10-8-6-4-2/h12-13,18,20,23-25,28-30H,3-11,14-17,19,21-22H2,1-2H3,(H,27,31)/b13-12+,20-18+/t23-,24+,25+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCC

References

Other Databases