LIPID MAPS

Common Name

PS(31:0/20:5(5Z,8Z,11Z,14Z,17Z))

Systematic Name

1-hentriacontanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphoserine

LM ID

LMGP03019E2A

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

991.724137

Formula

C₅₇H₁₀₂NO₁₀P

Predict MS/MS spectrum (Neg. Mode)

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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".

Classification

String Representations

InChiKey (Click to copy)

NQNMJTVLPZJALI-GARJHEGQSA-N

InChi (Click to copy)

InChI=1S/C57H102NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-55(59)65-50-53(51-66-69(63,64)67-52-54(58)57(61)62)68-56(60)49-47-45-43-41-39-37-35-32-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,35,37,41,43,53-54H,3-5,7,9-11,13,15-17,19,21-34,36,38-40,42,44-52,58H2,1-2H3,(H,61,62)(H,63,64)/b8-6-,14-12-,20-18-,37-35-,43-41-/t53-,54+/m1/s1

SMILES (Click to copy)

C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O