LIPID MAPS

Common Name

PI(17:2(9Z,12Z)/20:4(7E,10E,13E,16E))

Systematic Name

1-(9Z,12Z-heptadecadienoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol

LM ID

LMGP06019A5M

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

868.510183

Formula

C₄₆H₇₇O₁₃P

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)

OJIOXHMOWLTMMB-JUXGSAPTSA-N

InChi (Click to copy)

InChI=1S/C46H77O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h7,9-10,12-13,15-16,18-20,23,25,38,41-46,49-53H,3-6,8,11,14,17,21-22,24,26-37H2,1-2H3,(H,54,55)/b9-7+,12-10-,15-13+,18-16-,20-19+,25-23+/t38-,41?,42-,43?,44?,45?,46-/m1/s1

SMILES (Click to copy)

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