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In-Silico Structure Database (LMISSD)

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Common Name

SM(d14:1(8E)/22:4(7Z,10Z,13Z,16Z))

Systematic Name

N-(7Z,10Z,13Z,16Z-docosatetraenoyl)-8E-tetradecasphingenine-1-phosphocholine

LM ID

LMSP03019AH1

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

722.536276

Formula

C₄₁H₇₅N₂O₆P

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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)

FCYHKYIUZUBQAJ-DJMRYZEPSA-N

InChi (Click to copy)

InChI=1S/C41H75N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-15-13-11-9-7-2/h14-16,18-19,21-22,24-26,39-40,44H,6-13,17,20,23,27-38H2,1-5H3,(H-,42,45,46,47)/b16-14-,19-18-,22-21-,25-24-,26-15+/t39-,40+/m0/s1

SMILES (Click to copy)

[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC