In-Silico Structure Database (LMISSD)

Common Name
CerPE(d22:2(4E,8E)/10:0(2OH[R]))
Systematic Name
N-(2R-hydroxydecanoyl)-4E,8E-docosasphingadienine-1-phosphoethanolamine
LM ID
LMSP03029DEY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
646.468591
Formula
C34H67N2O7P
Download as...
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]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]

String Representations

InChiKey (Click to copy)
SRWCCPOORYBUDU-QRGBJSAKSA-N
InChi (Click to copy)
InChI=1S/C34H67N2O7P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-24-26-32(37)31(30-43-44(40,41)42-29-28-35)36-34(39)33(38)27-25-22-10-8-6-4-2/h19-20,24,26,31-33,37-38H,3-18,21-23,25,27-30,35H2,1-2H3,(H,36,39)(H,40,41)/b20-19+,26-24+/t31-,32+,33+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCCCCC

References

Other Databases