(Q63410439)

English

1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phospho-(1'-myo-inositol)

chemical compound

PI(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

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Statements

group of stereoisomers

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diacylglycerophosphoinositols

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866.49452909 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₆H₇₅O₁₃P

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canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=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

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Identifiers

InChI=1S/C46H75O13P/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/h5,7,10-13,16-19,21,23,27,29,38,41-46,49-53H,3-4,6,8-9,14-15,20,22,24-26,28,30-37H2,1-2H3,(H,54,55)/b7-5-,12-10-,13-11-,18-16-,19-17-,23-21-,29-27-/t38-,41?,42-,43?,44?,45?,46-/m1/s1

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GWPGHNOXVCNIHT-XUSUFDCDSA-N

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