LIPID MAPS

Common Name

PI(17:2(9Z,12Z)/39:0)

Systematic Name

1-(9Z,12Z-heptadecadienoyl)-2-nonatriacontanoyl-sn-glycero-3-phosphoinositol

LM ID

LMGP06019A6J

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

1142.870133

Formula

C₆₅H₁₂₃O₁₃P

Predict MS/MS spectrum (Neg. Mode)

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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".

Classification

String Representations

InChiKey (Click to copy)

VOTGVDQFMBUMNJ-QGJHVWCDSA-N

InChi (Click to copy)

InChI=1S/C65H123O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-59(67)77-57(56-76-79(73,74)78-65-63(71)61(69)60(68)62(70)64(65)72)55-75-58(66)53-51-49-47-45-43-41-18-16-14-12-10-8-6-4-2/h10,12,16,18,57,60-65,68-72H,3-9,11,13-15,17,19-56H2,1-2H3,(H,73,74)/b12-10-,18-16-/t57-,60?,61-,62?,63?,64?,65-/m1/s1

SMILES (Click to copy)

[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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