LIPID MAPS

Common Name

PS(28:0/20:5(5Z,8Z,11Z,14Z,17Z))

Systematic Name

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

LM ID

LMGP03019EVD

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

949.677187

Formula

C₅₄H₉₆NO₁₀P

Predict MS/MS spectrum (Neg. Mode)

Download as...

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)

VLPUUWMIJOKENA-MPXKUIGZSA-N

InChi (Click to copy)

InChI=1S/C54H96NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,32,34,38,40,50-51H,3-5,7,9-11,13,15-17,19,21-31,33,35-37,39,41-49,55H2,1-2H3,(H,58,59)(H,60,61)/b8-6-,14-12-,20-18-,34-32-,40-38-/t50-,51+/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(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O