LIPID MAPS

Common Name

PI(14:1(9Z)/20:4(6E,8Z,11Z,14Z))

Systematic Name

1-(9Z-tetradecenoyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol

LM ID

LMGP06019AM5

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

828.478883

Formula

C₄₃H₇₃O₁₃P

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)

VDFQONKPXRBQHR-KEHPGTGESA-N

InChi (Click to copy)

InChI=1S/C43H73O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h10-13,16-17,19-20,22,24,35,38-43,46-50H,3-9,14-15,18,21,23,25-34H2,1-2H3,(H,51,52)/b12-10-,13-11-,17-16-,20-19-,24-22+/t35-,38?,39-,40?,41?,42?,43-/m1/s1

SMILES (Click to copy)

[C@]([H])(OC(CCCC/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(CCCCCCC/C=C\CCCC)=O