LIPID MAPS

Common Name

PS(31:0/20:4(5E,8E,11E,14E))

Systematic Name

1-hentriacontanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoserine

LM ID

LMGP03019E14

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

993.739787

Formula

C₅₇H₁₀₄NO₁₀P

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)

IYLLEXJSGFGUEW-OXHWOCJMSA-N

InChi (Click to copy)

InChI=1S/C57H104NO10P/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/h12,14,18,20,35,37,41,43,53-54H,3-11,13,15-17,19,21-34,36,38-40,42,44-52,58H2,1-2H3,(H,61,62)(H,63,64)/b14-12+,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/CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O