LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PI(10:0/20:4(5Z,7E,11Z,14Z)(9Ke))

Systematic Name

1-decanoyl-2-(9-Oxo-ETE)-sn-glycero-3-phosphoinositol

LM ID

LMGP20059AAZ

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

788.411198

Formula

C₃₉H₆₅O₁₄P

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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)

UXHSDXGNATUDFV-UPHJAILFSA-N

InChi (Click to copy)

InChI=1S/C39H65O14P/c1-3-5-7-9-11-12-14-16-20-24-30(40)25-21-17-15-19-23-27-33(42)52-31(28-50-32(41)26-22-18-13-10-8-6-4-2)29-51-54(48,49)53-39-37(46)35(44)34(43)36(45)38(39)47/h11-12,15-17,20-21,25,31,34-39,43-47H,3-10,13-14,18-19,22-24,26-29H2,1-2H3,(H,48,49)/b12-11-,17-15-,20-16-,25-21+/t31-,34?,35-,36?,37?,38?,39-/m1/s1

SMILES (Click to copy)

[C@]([H])(OC(CCC/C=C\C=C\C(=O)C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCC)=O