LIPID MAPS

Common Name

PS(31:0/18:4(9E,11E,13E,15E))

Systematic Name

1-hentriacontanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoserine

LM ID

LMGP03019E1T

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

965.708487

Formula

C₅₅H₁₀₀NO₁₀P

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)

PKRLSQKUCZESPQ-UXEFHUNJSA-N

InChi (Click to copy)

InChI=1S/C55H100NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-53(57)63-48-51(49-64-67(61,62)65-50-52(56)55(59)60)66-54(58)47-45-43-41-39-37-35-32-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,32,51-52H,3-5,7,9,11,13,15,17,19-31,33-50,56H2,1-2H3,(H,59,60)(H,61,62)/b8-6+,12-10+,16-14+,32-18+/t51-,52+/m1/s1

SMILES (Click to copy)

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