LIPID MAPS

Common Name

PA(22:6(4Z,7Z,10Z,12E,16Z,19Z)/21:0)

Systematic Name

1-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-2-heneicosanoyl-sn-glycero-3-phosphate

LM ID

LMGP10019D1F

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

790.551258

Formula

C₄₆H₇₉O₈P

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)

WHEGVYGWKQBWFM-HKLOXTGDSA-N

InChi (Click to copy)

InChI=1S/C46H79O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-45(47)52-42-44(43-53-55(49,50)51)54-46(48)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,19,21,23,25,28,30,34,36,44H,3-4,6,8-10,12,14-18,20,22,24,26-27,29,31-33,35,37-43H2,1-2H3,(H2,49,50,51)/b7-5-,13-11-,21-19+,25-23-,30-28-,36-34-/t44-/m1/s1

SMILES (Click to copy)

[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O