(Q63410119)

English

1-(13Z,16Z-docosadienoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)

chemical compound

PI(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))

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Statements

group of stereoisomers

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diacylglycerophosphoinositols

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910.5571293459999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₉H₈₃O₁₃P

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canonical SMILES

CCC=CCC=CCC=CCC=CCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,28,30,41,44-49,52-56H,3-5,7,9-10,15-16,20-22,24-27,29,31-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,23-18-,30-28-/t41-,44?,45-,46?,47?,48?,49-/m1/s1

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KJGXFTWRHCTIFO-AQDXDIKMSA-N

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