LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PI(P-22:1(11Z)/8:1(6E)(5Ke,8Ke))

Systematic Name

1-(1Z,11Z-docosenyl)-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphoinositol

LM ID

LMGP20059F1V

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

790.426848

Formula

C₃₉H₆₇O₁₄P

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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".

Main

Classification

String Representations

InChiKey (Click to copy)

JIYPRNWBCWYIQO-HIFNTAJQSA-N

InChi (Click to copy)

InChI=1S/C39H67O14P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-50-29-32(52-33(42)26-22-24-31(41)25-23-27-40)30-51-54(48,49)53-39-37(46)35(44)34(43)36(45)38(39)47/h11-12,21,23,25,27-28,32,34-39,43-47H,2-10,13-20,22,24,26,29-30H2,1H3,(H,48,49)/b12-11-,25-23+,28-21-/t32-,34?,35-,36?,37?,38?,39-/m1/s1

SMILES (Click to copy)

[C@]([H])(OC(CCCC(=O)/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC