LIPID MAPS

Common Name

PI(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,18E)(20OH))

Systematic Name

1-(9Z-tetradecenoyl)-2-(20-HDoHE)-sn-glycero-3-phosphoinositol

LM ID

LMGP20059AKU

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

868.473798

Formula

C₄₅H₇₃O₁₄P

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)

BVJDAPXCYCMAQT-QGDGUWQESA-N

InChi (Click to copy)

InChI=1S/C45H73O14P/c1-3-5-6-7-8-9-16-20-23-26-29-32-38(47)56-34-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)58-39(48)33-30-27-24-21-18-15-13-11-10-12-14-17-19-22-25-28-31-36(46)4-2/h7-8,10-11,14-15,17-18,22,24-25,27-28,31,36-37,40-46,49-53H,3-6,9,12-13,16,19-21,23,26,29-30,32-35H2,1-2H3,(H,54,55)/b8-7-,11-10-,17-14-,18-15-,25-22-,27-24-,31-28+/t36?,37-,40?,41-,42?,43?,44?,45-/m1/s1

SMILES (Click to copy)

[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCC/C=C\CCCC)=O