In-Silico Structure Database (LMISSD)

Common Name
CerPE(d15:2(4E,6E)/20:1(11Z)(2OH[R]))
Systematic Name
N-(2R-hydroxy-11Z-eicosenoyl)-4E,6E-pentadecasphingadienine-1-phosphoethanolamine
LM ID
LMSP03029AYR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
686.499891
Formula
C37H71N2O7P
Download as...
MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]

String Representations

InChiKey (Click to copy)
OKDYKJQSHIKFEF-VLGZJUTQSA-N
InChi (Click to copy)
InChI=1S/C37H71N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-36(41)37(42)39-34(33-46-47(43,44)45-32-31-38)35(40)29-27-25-23-21-14-12-10-8-6-4-2/h16-17,23,25,27,29,34-36,40-41H,3-15,18-22,24,26,28,30-33,38H2,1-2H3,(H,39,42)(H,43,44)/b17-16-,25-23+,29-27+/t34-,35+,36+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

References

Other Databases