LIPID MAPS

Common Name

PI(32:0/20:4(5E,8E,11E,14E))

Systematic Name

1-dotriacontanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol

LM ID

LMGP06019E4F

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

1082.776233

Formula

C₆₁H₁₁₁O₁₃P

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)

UZFJQLVYOGTMSY-YRORJXIRSA-N

InChi (Click to copy)

InChI=1S/C61H111O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-54(62)71-51-53(52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68)73-55(63)50-48-46-44-42-40-38-36-33-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,36,38,42,44,53,56-61,64-68H,3-11,13,15-17,19,21-35,37,39-41,43,45-52H2,1-2H3,(H,69,70)/b14-12+,20-18+,38-36+,44-42+/t53-,56?,57-,58?,59?,60?,61-/m1/s1

SMILES (Click to copy)

[C@]([H])(OC(CCC/C=C/C/C=C/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O