LIPID MAPS

Common Name

PS(30:0/20:4(7E,10E,13E,16E))

Systematic Name

1-triacontanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoserine

LM ID

LMGP03019EZY

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

979.724137

Formula

C₅₆H₁₀₂NO₁₀P

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)

DZJBJOSLFYRVNH-UVKKCVSWSA-N

InChi (Click to copy)

InChI=1S/C56H102NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-54(58)64-49-52(50-65-68(62,63)66-51-53(57)56(60)61)67-55(59)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2/h8,10,14,16,20,31,36,38,52-53H,3-7,9,11-13,15,17-19,21-30,32-35,37,39-51,57H2,1-2H3,(H,60,61)(H,62,63)/b10-8+,16-14+,31-20+,38-36+/t52-,53+/m1/s1

SMILES (Click to copy)

C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O