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In-Silico Structure Database (LMISSD)

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Common Name

SM(d15:0/20:5(5Z,8Z,11Z,14Z,17Z))

Systematic Name

N-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-pentadecasphinganine-1-phosphocholine

LM ID

LMSP03019AQH

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

708.520626

Formula

C₄₀H₇₃N₂O₆P

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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

String Representations

InChiKey (Click to copy)

MEWGJADVDJIBTK-NTUFJKQLSA-N

InChi (Click to copy)

InChI=1S/C40H73N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,26,28,38-39,43H,6-7,9,11-13,15,17-18,21,24-25,27,29-37H2,1-5H3,(H-,41,44,45,46)/b10-8-,16-14-,20-19-,23-22-,28-26-/t38-,39+/m0/s1

SMILES (Click to copy)

[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)[C@]([H])(O)CCCCCCCCCCCC