In-Silico Structure Database (LMISSD)

Common Name
CerPE(d15:2(4E,6E)/22:1(13Z)(2OH[R]))
Systematic Name
N-(2R-hydroxy-13Z-docosenoyl)-4E,6E-pentadecasphingadienine-1-phosphoethanolamine
LM ID
LMSP03029AZA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
714.531191
Formula
C39H75N2O7P
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)
QZPWRMNZJBSBBM-AJRCSHGPSA-N
InChi (Click to copy)
InChI=1S/C39H75N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-38(43)39(44)41-36(35-48-49(45,46)47-34-33-40)37(42)31-29-27-25-23-14-12-10-8-6-4-2/h16-17,25,27,29,31,36-38,42-43H,3-15,18-24,26,28,30,32-35,40H2,1-2H3,(H,41,44)(H,45,46)/b17-16-,27-25+,31-29+/t36-,37+,38+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

References

Other Databases